Molecule

ID:83769

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₃Cl₂NO₃
Molecular Mass
374.21742
Exact Mass
373.02724864
Charge
0
InChI
InChI=1S/C19H13Cl2NO3/c20-18(21)17(24)16-15(23)11-14(12-7-3-1-4-8-12)22(19(16)25)13-9-5-2-6-10-13/h1-11,18,23H
InChIKey
OYWFXQKHSJOFJX-UHFFFAOYSA-N
Canonic Smiles
ClC(C(=O)c1c(O)cc(n(c1=O)c1ccccc1)c1ccccc1)Cl
Isomeric Smiles
n1(c2ccccc2)c(=O)c(c(cc1c1ccccc1)O)C(=O)C(Cl)Cl
Calculated Properties
JChem
Acid pKa
5.9428644
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.8620691
LogD (pH = 7.4)
2.5274081
Log P
3.9957843
Molar Refractivity
99.8962
Polarizability
37.238514
Polar Surface Area
57.61
Rotatable Bonds
4
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
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References
Bioactivity
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