Molecule

ID:63137

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClN₂
Molecular Mass
152.581
Exact Mass
152.01412585
Charge
0
InChI
InChI=1S/C7H5ClN2/c8-6-1-3-10-4-2-9-7(10)5-6/h1-5H
InChIKey
NGHRUBVFDAKWBC-UHFFFAOYSA-N
Canonic Smiles
Clc1ccn2c(c1)ncc2
Isomeric Smiles
c12cc(Cl)ccn1ccn2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.6708139
LogD (pH = 7.4)
1.3313978
Log P
1.363594
Molar Refractivity
40.7412
Polarizability
15.175698
Polar Surface Area
17.3
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
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References
Bioactivity
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