Molecule

ID:66040

General Information
Structure
Molecular Formula
C₇H₅Cl₂NO
Molecular Mass
190.0267
Exact Mass
188.97481915
Charge
0
InChI
InChI=1S/C7H5Cl2NO/c1-4(11)5-3-10-7(9)2-6(5)8/h2-3H,1H3
InChIKey
CUSJXLAXSOGBJJ-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1cnc(cc1Cl)Cl
Isomeric Smiles
c1(c(cc(nc1)Cl)Cl)C(=O)C
Calculated Properties
JChem
Acid pKa
15.099281
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7414873
LogD (pH = 7.4)
1.7414874
Log P
1.7414874
Molar Refractivity
44.9748
Polarizability
17.08457
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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