Molecule

ID:89698

General Information
Structure
Molecular Formula
C₉H₅Cl₂N
Molecular Mass
198.0487
Exact Mass
196.97990453
Charge
0
InChI
InChI=1S/C9H5Cl2N/c10-8-2-1-6-3-4-12-5-7(6)9(8)11/h1-5H
InChIKey
MYYHZQIWSAUHJB-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1Cl)cncc2
Isomeric Smiles
n1cc2c(c(ccc2cc1)Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.945405
LogD (pH = 7.4)
2.953041
Log P
2.9531395
Molar Refractivity
49.9609
Polarizability
20.701973
Polar Surface Area
12.89
Rotatable Bonds
0
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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