Molecule

ID:78376

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClN₂
Molecular Mass
152.581
Exact Mass
152.01412585
Charge
0
InChI
InChI=1S/C7H5ClN2/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)
InChIKey
AYPSHJCKSDNETA-UHFFFAOYSA-N
Canonic Smiles
Clc1nc2c([nH]1)cccc2
Isomeric Smiles
[nH]1c(nc2ccccc12)Cl
Calculated Properties
JChem
Acid pKa
9.428933
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.170903
LogD (pH = 7.4)
2.1699393
Log P
2.1735184
Molar Refractivity
39.9944
Polarizability
16.594547
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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