Molecule

ID:113159

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉ClN₂
Molecular Mass
240.68766
Exact Mass
240.04542598
Charge
0
InChI
InChI=1S/C14H9ClN2/c15-14-16-12-9-5-4-8-11(12)13(17-14)10-6-2-1-3-7-10/h1-9H
InChIKey
SFKMVPQJJGJCMI-UHFFFAOYSA-N
Canonic Smiles
Clc1nc2ccccc2c(n1)c1ccccc1
Isomeric Smiles
c1(nc(nc2c1cccc2)Cl)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.3666883
LogD (pH = 7.4)
4.3666887
Log P
4.3666887
Molar Refractivity
69.0633
Polarizability
29.101486
Polar Surface Area
25.78
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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