Molecule

ID:56171

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₃NO₄
Molecular Mass
295.28942
Exact Mass
295.0844579
Charge
0
InChI
InChI=1S/C17H13NO4/c1-9-5-10(2)7-12(6-9)18-15(19)13-4-3-11(17(21)22)8-14(13)16(18)20/h3-8H,1-2H3,(H,21,22)
InChIKey
RKWZZZFAHGCBGS-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)cc(c1)N1C(=O)c2c(C1=O)ccc(c2)C(=O)O
Isomeric Smiles
c1c(ccc2c1C(=O)N(C2=O)c1cc(cc(c1)C)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.4905274
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.2587014
LogD (pH = 7.4)
-0.11871015
Log P
3.2594833
Molar Refractivity
81.3277
Polarizability
29.967806
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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