Molecule

ID:52736

General Information
Structure
Molecular Formula
C₇H₅ClN₂
Molecular Mass
152.581
Exact Mass
152.01412585
Charge
0
InChI
InChI=1S/C7H5ClN2/c1-5-2-6(3-9)4-10-7(5)8/h2,4H,1H3
InChIKey
GKSKRJKZUDHSBZ-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cnc(c(c1)C)Cl
Isomeric Smiles
c1(cnc(c(c1)C)Cl)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9493128
LogD (pH = 7.4)
1.9493128
Log P
1.9493128
Molar Refractivity
40.53
Polarizability
14.972924
Polar Surface Area
36.68
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
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References
Bioactivity
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