Molecule

ID:23879

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClN₂
Molecular Mass
152.581
Exact Mass
152.01412585
Charge
0
InChI
InChI=1S/C7H5ClN2/c8-7-2-1-5-6(10-7)3-4-9-5/h1-4,9H
InChIKey
RFPQVCYUKAYKEG-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(n1)cc[nH]2
Isomeric Smiles
c1c(nc2c(c1)[nH]cc2)Cl
Calculated Properties
JChem
Acid pKa
14.1180105
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.0644004
LogD (pH = 7.4)
2.0644073
Log P
2.0644076
Molar Refractivity
40.4817
Polarizability
16.565178
Polar Surface Area
28.68
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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