Molecule

ID:70355

General Information
Structure
Molecular Formula
C₈H₆ClN
Molecular Mass
151.59294
Exact Mass
151.01887688
Charge
0
InChI
InChI=1S/C8H6ClN/c9-5-7-3-1-2-4-8(7)6-10/h1-4H,5H2
InChIKey
ZSHNOXOGXHXLAV-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccccc1CCl
Isomeric Smiles
C(#N)c1c(cccc1)CCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.416584
LogD (pH = 7.4)
2.416584
Log P
2.416584
Molar Refractivity
41.6465
Polarizability
15.81071
Polar Surface Area
23.79
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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