Molecule

ID:60631

General Information
Structure
MolImage
Molecular Formula
C₈H₆ClN
Molecular Mass
151.59294
Exact Mass
151.01887688
Charge
0
InChI
InChI=1S/C8H6ClN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5H2
InChIKey
MRDUURPIPLIGQX-UHFFFAOYSA-N
Canonic Smiles
N#CCc1ccccc1Cl
Isomeric Smiles
c1cccc(c1CC#N)Cl
Calculated Properties
JChem
Acid pKa
13.176497
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.2729876
LogD (pH = 7.4)
2.272987
Log P
2.2729876
Molar Refractivity
41.1497
Polarizability
15.714709
Polar Surface Area
23.79
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
No Data Available
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Molecule Details
References
Bioactivity
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