Molecule

ID:23878

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClN₂
Molecular Mass
152.581
Exact Mass
152.01412585
Charge
0
InChI
InChI=1S/C7H5ClN2/c8-7-5-1-3-9-6(5)2-4-10-7/h1-4,9H
InChIKey
NGRAFQOJLPCUNE-UHFFFAOYSA-N
Canonic Smiles
Clc1nccc2c1cc[nH]2
Isomeric Smiles
c1cnc(c2c1[nH]cc2)Cl
Calculated Properties
JChem
Acid pKa
13.53878
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.6368123
LogD (pH = 7.4)
1.6780038
Log P
1.6785573
Molar Refractivity
40.8537
Polarizability
16.57923
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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