Molecule

ID:71491

General Information
Structure
Molecular Formula
C₁₅H₇Cl₂NO₄
Molecular Mass
336.12638
Exact Mass
334.97521307
Charge
0
InChI
InChI=1S/C15H7Cl2NO4/c16-11-4-2-8(6-12(11)17)18-13(19)9-3-1-7(15(21)22)5-10(9)14(18)20/h1-6H,(H,21,22)
InChIKey
WQJRCVALNJFUHE-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc2c(c1)C(=O)N(C2=O)c1ccc(c(c1)Cl)Cl
Isomeric Smiles
c1c(c(cc(c1)N1C(=O)c2c(C1=O)ccc(c2)C(=O)O)Cl)Cl
Calculated Properties
JChem
Acid pKa
3.490518
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.4399393
LogD (pH = 7.4)
0.062533766
Log P
3.4407299
Molar Refractivity
80.8549
Polarizability
30.345846
Polar Surface Area
74.68
Rotatable Bonds
2
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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