Molecule

ID:70209

General Information
Structure
MolImage
Molecular Formula
C₆H₅Cl₂NO
Molecular Mass
178.016
Exact Mass
176.97481915
Charge
0
InChI
InChI=1S/C6H4ClNO.ClH/c7-6(9)5-3-1-2-4-8-5;/h1-4H;1H
InChIKey
VIPHVHVAGBKHGR-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1ccccn1.Cl
Isomeric Smiles
C(=O)(c1ccccn1)Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3322622
LogD (pH = 7.4)
1.3323354
Log P
1.3323363
Molar Refractivity
34.6438
Polarizability
13.227202
Polar Surface Area
29.96
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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