Molecule
ID:71495
General Information
Molecular Formula
C₁₅H₇Cl₂NO₄
Molecular Mass
336.12638
Exact Mass
334.97521307
Charge
0
InChI
InChI=1S/C15H7Cl2NO4/c16-10-2-1-3-11(12(10)17)18-13(19)8-5-4-7(15(21)22)6-9(8)14(18)20/h1-6H,(H,21,22)
InChIKey
NIYITOBHYIPJJI-UHFFFAOYSA-N
Canonic Smiles
O=C1c2cc(ccc2C(=O)N1c1cccc(c1Cl)Cl)C(=O)O
Isomeric Smiles
c1ccc(c(c1Cl)Cl)N1C(=O)c2c(C1=O)ccc(c2)C(=O)O
Calculated Properties
JChem
Acid pKa
3.4901567
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.4395921
LogD (pH = 7.4)
0.06242755
Log P
3.4407299
Molar Refractivity
80.8549
Polarizability
30.360949
Polar Surface Area
74.68
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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