Molecule

ID:56183

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₁NO₅
Molecular Mass
309.27294
Exact Mass
309.06372246
Charge
0
InChI
InChI=1S/C17H11NO5/c1-9(19)10-2-5-12(6-3-10)18-15(20)13-7-4-11(17(22)23)8-14(13)16(18)21/h2-8H,1H3,(H,22,23)
InChIKey
CPZBKHKLOBBICZ-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)C(=O)O
Isomeric Smiles
CC(=O)c1ccc(cc1)N1C(=O)c2c(C1=O)ccc(c2)C(=O)O
Calculated Properties
JChem
Acid pKa
3.4905279
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.21049316
LogD (pH = 7.4)
-1.5879052
Log P
1.790288
Molar Refractivity
81.6481
Polarizability
30.209707
Polar Surface Area
91.75
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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