Molecule

ID:39754

General Information
Structure
Molecular Formula
C₇H₅Cl₂NO
Molecular Mass
190.0267
Exact Mass
188.97481915
Charge
0
InChI
InChI=1S/C7H5Cl2NO/c8-6-3-1-5(2-4-6)7(9)10-11/h1-4,11H/b10-7-
InChIKey
JPBNMRDGFBFKLT-YFHOEESVSA-N
Canonic Smiles
O/N=C(/c1ccc(cc1)Cl)\Cl
Isomeric Smiles
C(=N\O)(/c1ccc(cc1)Cl)\Cl
Calculated Properties
JChem
Acid pKa
6.356928
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.7214055
LogD (pH = 7.4)
1.7166663
Log P
2.7776828
Molar Refractivity
45.7992
Polarizability
17.357588
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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