Molecule

ID:80015

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₁NO₃
Molecular Mass
265.26344
Exact Mass
265.07389322
Charge
0
InChI
InChI=1S/C16H11NO3/c18-14-8-4-3-7-12(14)17-13-9-15(19)16(20)11-6-2-1-5-10(11)13/h1-9,17-18H
InChIKey
BNOCMOBNZBUGRY-UHFFFAOYSA-N
Canonic Smiles
Oc1ccccc1NC1=CC(=O)C(=O)c2c1cccc2
Isomeric Smiles
N(C1=CC(=O)C(=O)c2ccccc12)c1ccccc1O
Calculated Properties
JChem
Acid pKa
9.450492
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.5834405
LogD (pH = 7.4)
2.579661
Log P
2.583489
Molar Refractivity
78.0287
Polarizability
28.248701
Polar Surface Area
66.4
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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