Molecule

ID:84485

General Information
Structure
MolImage
Molecular Formula
C₇H₅Cl₂NO
Molecular Mass
190.0267
Exact Mass
188.97481915
Charge
0
InChI
InChI=1S/C7H5Cl2NO/c1-4-2-5(7(9)11)3-6(8)10-4/h2-3H,1H3
InChIKey
YHKLLTUNTUJQSB-UHFFFAOYSA-N
Canonic Smiles
Cc1nc(Cl)cc(c1)C(=O)Cl
Isomeric Smiles
n1c(cc(cc1Cl)C(=O)Cl)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9020777
LogD (pH = 7.4)
1.9020779
Log P
1.9020779
Molar Refractivity
45.4734
Polarizability
16.977112
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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