Molecule

ID:84520

General Information
Structure
MolImage
Molecular Formula
C₆H₃Cl₂NO
Molecular Mass
176.00012
Exact Mass
174.95916908
Charge
0
InChI
InChI=1S/C6H3Cl2NO/c7-5-2-1-4(3-9-5)6(8)10/h1-3H
InChIKey
FMEBIWNKYZUWFV-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cn1)C(=O)Cl
Isomeric Smiles
n1cc(ccc1Cl)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7707074
LogD (pH = 7.4)
1.7707078
Log P
1.7707078
Molar Refractivity
40.8819
Polarizability
15.2336855
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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