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936074-69-0 molecular structure
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7-amino-2,3,4,9-tetrahydro-1H-carbazol-1-one

ChemBase ID: 308647
Molecular Formular: C12H12N2O
Molecular Mass: 200.23648
Monoisotopic Mass: 200.09496301
SMILES and InChIs

SMILES:
c12[nH]c3c(c1CCCC2=O)ccc(c3)N
Canonical SMILES:
Nc1ccc2c(c1)[nH]c1c2CCCC1=O
InChI:
InChI=1S/C12H12N2O/c13-7-4-5-8-9-2-1-3-11(15)12(9)14-10(8)6-7/h4-6,14H,1-3,13H2
InChIKey:
VSPRWBIYAAFWNR-UHFFFAOYSA-N

Cite this record

CBID:308647 http://www.chembase.cn/molecule-308647.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-amino-2,3,4,9-tetrahydro-1H-carbazol-1-one
IUPAC Traditional name
7-amino-2,3,4,9-tetrahydrocarbazol-1-one
Synonyms
7-amino-2,3,4,9-tetrahydro-1H-carbazol-1-one
CAS Number
936074-69-0
MDL Number
MFCD09743354

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.465097  LogD (pH = 7.4) 1.4708866 
Log P 1.4709618  Molar Refractivity 59.9911 cm3
Polarizability 23.381075 Å3 Polar Surface Area 58.88 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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