Molecule

ID:51075

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(3-10)6(8)9-5/h1-3H
InChIKey
HWTMRGXKSANEDO-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(Cl)ccc1C=O
Isomeric Smiles
c1(c(ccc(n1)Cl)C=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1165195
LogD (pH = 7.4)
2.1165195
Log P
2.1165195
Molar Refractivity
42.2173
Polarizability
15.321916
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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