Molecule

ID:85246

General Information
Structure
MolImage
Molecular Formula
C₆H₃Cl₂NO
Molecular Mass
176.00012
Exact Mass
174.95916908
Charge
0
InChI
InChI=1S/C6H3Cl2NO/c7-4-1-2-9-5(3-4)6(8)10/h1-3H
InChIKey
FYBNFLRGZHGUDY-UHFFFAOYSA-N
Canonic Smiles
Clc1ccnc(c1)C(=O)Cl
Isomeric Smiles
n1c(cc(cc1)Cl)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9363743
LogD (pH = 7.4)
1.9363809
Log P
1.936381
Molar Refractivity
39.4486
Polarizability
15.184036
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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