Molecule

ID:10921

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄N₂O₃
Molecular Mass
294.30466
Exact Mass
294.10044232
Charge
0
InChI
InChI=1S/C17H14N2O3/c20-16(21)11-19-17(22)14-9-5-4-8-13(14)15(18-19)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,20,21)
InChIKey
QAGXMQKMEDEMJM-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cn1nc(Cc2ccccc2)c2c(c1=O)cccc2
Isomeric Smiles
n1(nc(c2c(c1=O)cccc2)Cc1ccccc1)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.5206628
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.39919508
LogD (pH = 7.4)
-0.9980898
Log P
2.3710332
Molar Refractivity
81.6995
Polarizability
30.623556
Polar Surface Area
69.97
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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