Molecule

ID:68975

General Information
Structure
MolImage
Molecular Formula
C₉H₅Cl₂N
Molecular Mass
198.0487
Exact Mass
196.97990453
Charge
0
InChI
InChI=1S/C9H5Cl2N/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5H
InChIKey
HXEWMTXDBOQQKO-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)nccc2Cl
Isomeric Smiles
n1ccc(c2ccc(cc12)Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.338481
LogD (pH = 7.4)
3.3389833
Log P
3.3389897
Molar Refractivity
49.5889
Polarizability
20.67865
Polar Surface Area
12.89
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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