Molecule

ID:125601

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₅NO₃
Molecular Mass
281.3059
Exact Mass
281.10519335
Charge
0
InChI
InChI=1S/C17H15NO3/c1-11(19)18(21-12(2)20)15-7-8-17-14(10-15)9-13-5-3-4-6-16(13)17/h3-8,10H,9H2,1-2H3
InChIKey
NFOMHWALMFWNAQ-UHFFFAOYSA-N
Canonic Smiles
CC(=O)ON(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C
Isomeric Smiles
CC(=O)ON(C(=O)C)c1ccc2c(Cc3ccccc23)c1
Calculated Properties
JChem
LogD (pH = 7.4)
2.76
LogD (pH = 5.5)
2.76
Log P
2.76
Rotatable Bonds
3
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
15.41
Polar Surface Area
46.61
Polarizability
30.00
Molar Refractivity
78.87
LOG S
-4.28
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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