Molecule

ID:12747

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀ClNO₄
Molecular Mass
267.6651
Exact Mass
267.02983549
Charge
0
InChI
InChI=1S/C12H10ClNO4/c13-6-1-3-9-7(5-6)11(14)12(18-9)8(15)2-4-10(16)17/h1,3,5H,2,4,14H2,(H,16,17)
InChIKey
OYWVJYAUHLAGJC-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCC(=O)c1oc2c(c1N)cc(cc2)Cl
Isomeric Smiles
C(=O)(CCC(=O)c1oc2c(c1N)cc(cc2)Cl)O
Calculated Properties
JChem
Acid pKa
4.368991
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.69973403
LogD (pH = 7.4)
-1.0517122
Log P
1.8599993
Molar Refractivity
65.5779
Polarizability
25.71451
Polar Surface Area
93.53
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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