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92855-23-7 molecular structure
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7-methyl-2-phenyl-1H-indole-3-carbaldehyde

ChemBase ID: 311517
Molecular Formular: C16H13NO
Molecular Mass: 235.28052
Monoisotopic Mass: 235.09971404
SMILES and InChIs

SMILES:
c1(c([nH]c2c1cccc2C)c1ccccc1)C=O
Canonical SMILES:
O=Cc1c([nH]c2c1cccc2C)c1ccccc1
InChI:
InChI=1S/C16H13NO/c1-11-6-5-9-13-14(10-18)16(17-15(11)13)12-7-3-2-4-8-12/h2-10,17H,1H3
InChIKey:
APEQNVMIKSZZTJ-UHFFFAOYSA-N

Cite this record

CBID:311517 http://www.chembase.cn/molecule-311517.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-methyl-2-phenyl-1H-indole-3-carbaldehyde
IUPAC Traditional name
7-methyl-2-phenyl-1H-indole-3-carbaldehyde
Synonyms
7-methyl-2-phenyl-1H-indole-3-carbaldehyde
CAS Number
92855-23-7
MDL Number
MFCD03195635

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) 3.865158  LogD (pH = 7.4) 3.8651567 
Log P 3.865158  Molar Refractivity 73.7834 cm3
Polarizability 30.32957 Å3 Polar Surface Area 32.86 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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