Molecule

ID:126988

General Information
Structure
MolImage
Molecular Formula
C₁₂H₇Cl₂NO₂
Molecular Mass
268.09548
Exact Mass
266.98538383
Charge
0
InChI
InChI=1S/C12H7Cl2NO2/c13-10-5-8(6-11(14)12(10)17)15-7-1-3-9(16)4-2-7/h1-6,16H
InChIKey
CCBICDLNWJRFPO-UHFFFAOYSA-N
Canonic Smiles
ClC1=C/C(=N/c2ccc(cc2)O)/C=C(C1=O)Cl
Isomeric Smiles
ClC1=C/C(=N/c2ccc(O)cc2)/C=C(Cl)C1=O
Calculated Properties
JChem
Acid pKa
8.84629
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.6600153
LogD (pH = 7.4)
3.6450357
Log P
3.6602118
Molar Refractivity
71.3379
Polarizability
25.290895
Polar Surface Area
49.66
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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