Molecule

ID:78505

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₁NO₃
Molecular Mass
265.26344
Exact Mass
265.07389322
Charge
0
InChI
InChI=1S/C16H11NO3/c18-9-14-13(8-12-3-1-2-6-17(12)14)11-4-5-15-16(7-11)20-10-19-15/h1-9H,10H2
InChIKey
XMLWUCQDJAEAPX-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(cc2n1cccc2)c1ccc2c(c1)OCO2
Isomeric Smiles
n12c(c(c3ccc4c(c3)OCO4)cc1cccc2)C=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.512722
LogD (pH = 7.4)
2.512722
Log P
2.512722
Molar Refractivity
75.5053
Polarizability
30.18005
Polar Surface Area
39.94
Rotatable Bonds
2
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
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References
Bioactivity
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