Molecule

ID:130661

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₁NO₃
Molecular Mass
277.27414
Exact Mass
277.07389322
Charge
0
InChI
InChI=1S/C17H11NO3/c19-15-10-11-16(20)18(15)14-8-6-13(7-9-14)17(21)12-4-2-1-3-5-12/h1-11H
InChIKey
OZIZEXQRIOURIJ-UHFFFAOYSA-N
Canonic Smiles
O=C1C=CC(=O)N1c1ccc(cc1)C(=O)c1ccccc1
Isomeric Smiles
c1ccc(cc1)C(=O)c1ccc(cc1)N1C(=O)C=CC1=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.7050838
LogD (pH = 7.4)
2.7050846
Log P
2.7050846
Molar Refractivity
78.6012
Polarizability
29.632542
Polar Surface Area
54.45
Rotatable Bonds
3
Lipinski's Rule of Five
true
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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