Molecule

ID:81119

General Information
Structure
MolImage
Molecular Formula
C₇H₃Cl₂N
Molecular Mass
172.01142
Exact Mass
170.96425446
Charge
0
InChI
InChI=1S/C7H3Cl2N/c8-6-1-5(4-10)2-7(9)3-6/h1-3H
InChIKey
PUJSUOGJGIECFQ-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cc(Cl)cc(c1)Cl
Isomeric Smiles
N#Cc1cc(cc(c1)Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0374312
LogD (pH = 7.4)
3.0374312
Log P
3.0374312
Molar Refractivity
41.3892
Polarizability
15.939422
Polar Surface Area
23.79
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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