Molecule

ID:39668

General Information
Structure
MolImage
Molecular Formula
C₁₂H₇ClN₂
Molecular Mass
214.65038
Exact Mass
214.02977591
Charge
0
InChI
InChI=1S/C12H7ClN2/c13-12-10(8-14)6-7-11(15-12)9-4-2-1-3-5-9/h1-7H
InChIKey
NROZOMIVAHCNED-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(nc1Cl)c1ccccc1
Isomeric Smiles
n1c(c(ccc1c1ccccc1)C#N)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4689672
LogD (pH = 7.4)
3.4689672
Log P
3.4689672
Molar Refractivity
60.253
Polarizability
24.176727
Polar Surface Area
36.68
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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