Molecule

ID:54862

General Information
Structure
MolImage
Molecular Formula
C₆H₃Cl₂NO
Molecular Mass
176.00012
Exact Mass
174.95916908
Charge
0
InChI
InChI=1S/C6H3Cl2NO/c7-5-1-6(8)9-2-4(5)3-10/h1-3H
InChIKey
AKYJFAHYRMPRDS-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)ncc1C=O
Isomeric Smiles
c1(c(cc(nc1)Cl)Cl)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.896342
LogD (pH = 7.4)
1.8963423
Log P
1.8963423
Molar Refractivity
41.156
Polarizability
15.267579
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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