Molecule

ID:64792

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClN₂
Molecular Mass
152.581
Exact Mass
152.01412585
Charge
0
InChI
InChI=1S/C7H5ClN2/c8-6-2-1-5-3-4-9-7(5)10-6/h1-4H,(H,9,10)
InChIKey
DSCOSIUAQUDGJM-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(n1)[nH]cc2
Isomeric Smiles
c1c(nc2[nH]ccc2c1)Cl
Calculated Properties
JChem
Acid pKa
15.39186
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.0460134
LogD (pH = 7.4)
2.0460193
Log P
2.0460193
Molar Refractivity
40.8063
Polarizability
15.899861
Polar Surface Area
28.68
Rotatable Bonds
0
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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