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15-hydroxy-14-methoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,12(16),13-heptaen-11-one
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ChemBase ID:
304752
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Molecular Formular:
C16H11NO3
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Molecular Mass:
265.26344
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Monoisotopic Mass:
265.07389322
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SMILES and InChIs
SMILES:
c1(c(c2c3c(c1)c(=O)[nH]c3cc1c2cccc1)O)OC
Canonical SMILES:
COc1cc2c(=O)[nH]c3c2c(c1O)c1ccccc1c3
InChI:
InChI=1S/C16H11NO3/c1-20-12-7-10-13-11(17-16(10)19)6-8-4-2-3-5-9(8)14(13)15(12)18/h2-7,18H,1H3,(H,17,19)
InChIKey:
KBGNBPGXVKPRQI-UHFFFAOYSA-N
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Cite this record
CBID:304752 http://www.chembase.cn/molecule-304752.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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15-hydroxy-14-methoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,12(16),13-heptaen-11-one
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IUPAC Traditional name
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15-hydroxy-14-methoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,12(16),13-heptaen-11-one
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Synonyms
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Piperolactam A
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Aristolactam FI
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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8.564875
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H Acceptors
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3
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H Donor
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2
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LogD (pH = 5.5)
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2.609231
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LogD (pH = 7.4)
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2.5811074
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Log P
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2.6096017
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Molar Refractivity
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76.878 cm3
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Polarizability
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30.790163 Å3
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Polar Surface Area
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58.56 Å2
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Rotatable Bonds
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1
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Physical Property
Bioassay(PubChem)
Apperance
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Yellow powder
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Show
data source
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PATENTS
PATENTS
PubChem Patent
Google Patent