Molecule

ID:86157

General Information
Structure
MolImage
Molecular Formula
C₇H₅Cl₂NO
Molecular Mass
190.0267
Exact Mass
188.97481915
Charge
0
InChI
InChI=1S/C7H5Cl2NO/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H2,10,11)
InChIKey
XXFUNTSOBHSMBU-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)C(=O)N
Isomeric Smiles
Clc1c(ccc(c1)Cl)C(=O)N
Calculated Properties
JChem
Acid pKa
12.953485
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.0319753
LogD (pH = 7.4)
2.0319765
Log P
2.0319755
Molar Refractivity
44.746
Polarizability
17.016623
Polar Surface Area
43.09
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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