Molecule

ID:54052

General Information
Structure
MolImage
Molecular Formula
C₇H₅Cl₂NO
Molecular Mass
190.0267
Exact Mass
188.97481915
Charge
0
InChI
InChI=1S/C7H5Cl2NO/c8-6-2-1-3-7(9)5(6)4-10-11/h1-4,11H/b10-4+
InChIKey
YBSXDWIAUZOFFV-ONNFQVAWSA-N
Canonic Smiles
O/N=C/c1c(Cl)cccc1Cl
Isomeric Smiles
c1ccc(c(c1Cl)/C=N/O)Cl
Calculated Properties
JChem
Acid pKa
7.194758
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.894668
LogD (pH = 7.4)
2.4905717
Log P
2.9033172
Molar Refractivity
46.0733
Polarizability
17.403542
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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