Molecule

ID:42353

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₅NO₃
Molecular Mass
281.3059
Exact Mass
281.10519335
Charge
0
InChI
InChI=1S/C17H15NO3/c19-16-14-9-5-4-8-13(14)11-18(16)15(17(20)21)10-12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,20,21)
InChIKey
FZEBPJBRDFXKIH-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(N1Cc2c(C1=O)cccc2)Cc1ccccc1
Isomeric Smiles
N1(C(=O)c2c(C1)cccc2)C(C(=O)O)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
3.7319431
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.9575907
LogD (pH = 7.4)
-0.56678295
Log P
2.7255394
Molar Refractivity
78.6819
Polarizability
29.898537
Polar Surface Area
57.61
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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