Molecule

ID:71499

General Information
Structure
MolImage
Molecular Formula
C₁₅H₅Cl₄NO₄
Molecular Mass
405.0165
Exact Mass
402.89726837
Charge
0
InChI
InChI=1S/C15H5Cl4NO4/c16-9-7-8(10(17)12(19)11(9)18)14(22)20(13(7)21)6-4-2-1-3-5(6)15(23)24/h1-4H,(H,23,24)
InChIKey
GSRKUYXYRORCEE-UHFFFAOYSA-N
Canonic Smiles
O=C1N(c2ccccc2C(=O)O)C(=O)c2c1c(Cl)c(c(c2Cl)Cl)Cl
Isomeric Smiles
c1ccc(c(c1)N1C(=O)c2c(C1=O)c(c(c(c2Cl)Cl)Cl)Cl)C(=O)O
Calculated Properties
JChem
Acid pKa
3.3369577
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.5010896
LogD (pH = 7.4)
1.2308117
Log P
4.648819
Molar Refractivity
90.4645
Polarizability
34.38032
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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