Molecule

ID:16299

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClN₂
Molecular Mass
152.581
Exact Mass
152.01412585
Charge
0
InChI
InChI=1S/C7H5ClN2/c8-6-3-5(4-9)1-2-7(6)10/h1-3H,10H2
InChIKey
OREVCMGFYSUYPX-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(c(c1)Cl)N
Isomeric Smiles
c1c(c(cc(c1)C#N)Cl)N
Calculated Properties
JChem
Acid pKa
18.569897
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6044589
LogD (pH = 7.4)
1.6044607
Log P
1.6044607
Molar Refractivity
41.2848
Polarizability
15.17771
Polar Surface Area
49.81
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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