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128200-45-3 molecular structure
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1-ethyl-1H-indole-3-carbonitrile

ChemBase ID: 308214
Molecular Formular: C11H10N2
Molecular Mass: 170.2105
Monoisotopic Mass: 170.08439833
SMILES and InChIs

SMILES:
c1(cn(c2c1cccc2)CC)C#N
Canonical SMILES:
N#Cc1cn(c2c1cccc2)CC
InChI:
InChI=1S/C11H10N2/c1-2-13-8-9(7-12)10-5-3-4-6-11(10)13/h3-6,8H,2H2,1H3
InChIKey:
CSYGELDKHGSKMU-UHFFFAOYSA-N

Cite this record

CBID:308214 http://www.chembase.cn/molecule-308214.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-ethyl-1H-indole-3-carbonitrile
IUPAC Traditional name
1-ethylindole-3-carbonitrile
Synonyms
1-ethyl-1H-indole-3-carbonitrile
CAS Number
128200-45-3
MDL Number
MFCD03819703

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) 2.508588  LogD (pH = 7.4) 2.508588 
Log P 2.508588  Molar Refractivity 52.5114 cm3
Polarizability 21.040905 Å3 Polar Surface Area 28.72 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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