Molecule

ID:43130

General Information
Structure
MolImage
Molecular Formula
C₆H₃Cl₂NO
Molecular Mass
176.00012
Exact Mass
174.95916908
Charge
0
InChI
InChI=1S/C6H3Cl2NO/c7-5-1-2-9-6(8)4(5)3-10/h1-3H
InChIKey
GWBHJHIZHNTJLA-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(Cl)ccnc1Cl
Isomeric Smiles
c1(c(nccc1Cl)Cl)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8963419
LogD (pH = 7.4)
1.8963423
Log P
1.8963423
Molar Refractivity
41.156
Polarizability
15.277533
Polar Surface Area
29.96
Rotatable Bonds
1
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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