Molecule

ID:63515

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClN₂
Molecular Mass
152.581
Exact Mass
152.01412585
Charge
0
InChI
InChI=1S/C7H5ClN2/c8-7-6(3-4-9)2-1-5-10-7/h1-2,5H,3H2
InChIKey
DMWOJKQPJYWCCB-UHFFFAOYSA-N
Canonic Smiles
Clc1ncccc1CC#N
Isomeric Smiles
c1(cccnc1Cl)CC#N
Calculated Properties
JChem
Acid pKa
11.846116
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2754812
LogD (pH = 7.4)
1.2754767
Log P
1.2754924
Molar Refractivity
40.0541
Polarizability
14.902953
Polar Surface Area
36.68
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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