Molecule

ID:24936

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄N₂O₃
Molecular Mass
294.30466
Exact Mass
294.10044232
Charge
0
InChI
InChI=1S/C17H14N2O3/c20-15(21)10-11-19-17(22)14-9-5-4-8-13(14)16(18-19)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,20,21)
InChIKey
FDEHZLRHPXQYOR-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCn1nc(c2ccccc2)c2c(c1=O)cccc2
Isomeric Smiles
n1n(c(=O)c2c(c1c1ccccc1)cccc2)CCC(=O)O
Calculated Properties
JChem
Acid pKa
3.8505025
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.0203253
LogD (pH = 7.4)
-0.56386364
Log P
2.6754117
Molar Refractivity
81.8497
Polarizability
30.610613
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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