Molecule

ID:76653

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀ClNO₄
Molecular Mass
267.6651
Exact Mass
267.02983549
Charge
0
InChI
InChI=1S/C12H10ClNO4/c1-7(15)18-9-4-2-8(3-5-9)14-11(16)6-10(13)12(14)17/h2-5,10H,6H2,1H3
InChIKey
NCOSMOMALPHEFV-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Oc1ccc(cc1)N1C(=O)CC(C1=O)Cl
Isomeric Smiles
N1(c2ccc(cc2)OC(=O)C)C(=O)C(CC1=O)Cl
Calculated Properties
JChem
Acid pKa
13.131287
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.1348573
LogD (pH = 7.4)
1.1348565
Log P
1.1348573
Molar Refractivity
62.4773
Polarizability
24.614296
Polar Surface Area
63.68
Rotatable Bonds
3
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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