Molecule

ID:86607

General Information
Structure
MolImage
Molecular Formula
C₇H₅Cl₂NO
Molecular Mass
190.0267
Exact Mass
188.97481915
Charge
0
InChI
InChI=1S/C7H5Cl2NO/c8-6-2-1-5(4-10-11)7(9)3-6/h1-4,11H
InChIKey
ONJQBRVMFRQQIG-UHFFFAOYSA-N
Canonic Smiles
O/N=C/c1ccc(cc1Cl)Cl
Isomeric Smiles
N(=C\c1ccc(cc1Cl)Cl)/O
Calculated Properties
JChem
Acid pKa
7.065626
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.8917103
LogD (pH = 7.4)
2.4076092
Log P
2.9033172
Molar Refractivity
46.0733
Polarizability
17.394829
Polar Surface Area
32.59
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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