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3929-81-5 molecular structure
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3-phenyl-1H-indol-1-amine

ChemBase ID: 125147
Molecular Formular: C14H12N2
Molecular Mass: 208.25848
Monoisotopic Mass: 208.10004839
SMILES and InChIs

SMILES:
Nn1cc(c2ccccc12)c1ccccc1
Canonical SMILES:
Nn1cc(c2c1cccc2)c1ccccc1
InChI:
InChI=1S/C14H12N2/c15-16-10-13(11-6-2-1-3-7-11)12-8-4-5-9-14(12)16/h1-10H,15H2
InChIKey:
SZBSSFJINJSGMH-UHFFFAOYSA-N

Cite this record

CBID:125147 http://www.chembase.cn/molecule-125147.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-phenyl-1H-indol-1-amine
IUPAC Traditional name
1-amino-3-phenylindole
Synonyms
1-Amino-3-phenylindole
CAS Number
3929-81-5
PubChem SID
162219497
PubChem CID
20337768
Chemspider ID
15284552
Wikipedia Title
1-Amino-3-phenylindole

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.7534735  LogD (pH = 7.4) 2.753632 
Log P 2.7536342  Molar Refractivity 68.1755 cm3
Polarizability 27.860918 Å3 Polar Surface Area 30.95 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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