Molecule

ID:10096

General Information
Structure
MolImage
Molecular Formula
C₈H₆ClN
Molecular Mass
151.59294
Exact Mass
151.01887688
Charge
0
InChI
InChI=1S/C8H6ClN/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5,10H
InChIKey
YTYIMDRWPTUAHP-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)[nH]cc2
Isomeric Smiles
c1(Cl)cc2c(cc1)cc[nH]2
Calculated Properties
JChem
Acid pKa
16.066074
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
2.6760526
LogD (pH = 7.4)
2.6760526
Log P
2.6760526
Molar Refractivity
41.9493
Polarizability
17.415537
Polar Surface Area
15.79
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
References
Bioactivity
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