Molecule

ID:91851

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClN₂
Molecular Mass
152.581
Exact Mass
152.01412585
Charge
0
InChI
InChI=1S/C7H5ClN2/c8-6-1-3-7(4-2-6)10-5-9/h1-4,10H
InChIKey
GKFFFNUVYUGXEW-UHFFFAOYSA-N
Canonic Smiles
N#CNc1ccc(cc1)Cl
Isomeric Smiles
Clc1ccc(cc1)NC#N
Calculated Properties
JChem
Acid pKa
18.541298
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.030585
LogD (pH = 7.4)
2.030585
Log P
2.030585
Molar Refractivity
42.0155
Polarizability
15.013269
Polar Surface Area
35.82
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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