Molecule

ID:71524

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₃NO₄
Molecular Mass
295.28942
Exact Mass
295.0844579
Charge
0
InChI
InChI=1S/C17H13NO4/c19-15-12-8-4-5-9-13(12)16(20)18(15)14(17(21)22)10-11-6-2-1-3-7-11/h1-9,14H,10H2,(H,21,22)
InChIKey
VAYRSTHMTWUHGE-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(N1C(=O)c2c(C1=O)cccc2)Cc1ccccc1
Isomeric Smiles
c1ccc(CC(C(=O)O)N2C(=O)c3c(C2=O)cccc3)cc1
Calculated Properties
JChem
Acid pKa
3.3770394
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.5106596
LogD (pH = 7.4)
-0.7884325
Log P
2.620173
Molar Refractivity
79.409
Polarizability
29.786175
Polar Surface Area
74.68
Rotatable Bonds
4
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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