Molecule

ID:61258

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₁NO₃
Molecular Mass
265.26344
Exact Mass
265.07389322
Charge
0
InChI
InChI=1S/C16H11NO3/c18-15-10-11-16(19)17(15)12-6-8-14(9-7-12)20-13-4-2-1-3-5-13/h1-11H
InChIKey
VAYJAEOCYWSGBB-UHFFFAOYSA-N
Canonic Smiles
O=C1C=CC(=O)N1c1ccc(cc1)Oc1ccccc1
Isomeric Smiles
N1(C(=O)C=CC1=O)c1ccc(Oc2ccccc2)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.746018
LogD (pH = 7.4)
2.7460186
Log P
2.746019
Molar Refractivity
74.2665
Polarizability
28.311563
Polar Surface Area
46.61
Rotatable Bonds
3
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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