Molecule

ID:80031

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₁NO₃
Molecular Mass
265.26344
Exact Mass
265.07389322
Charge
0
InChI
InChI=1S/C16H11NO3/c18-11-5-3-4-10(8-11)17-14-9-15(19)16(20)13-7-2-1-6-12(13)14/h1-9,17-18H
InChIKey
QHRRYLXXVNMNCM-UHFFFAOYSA-N
Canonic Smiles
Oc1cccc(c1)NC1=CC(=O)C(=O)c2c1cccc2
Isomeric Smiles
N(C1=CC(=O)C(=O)c2ccccc12)c1cccc(c1)O
Calculated Properties
JChem
Acid pKa
9.301218
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.5834205
LogD (pH = 7.4)
2.5781012
Log P
2.583489
Molar Refractivity
78.0287
Polarizability
28.247726
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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