Molecule

ID:115142

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃N₃O₃
Molecular Mass
283.28202
Exact Mass
283.09569129
Charge
0
InChI
InChI=1S/C15H13N3O3/c1-21-11-6-4-10(5-7-11)9-18-14(19)13-12(17-15(18)20)3-2-8-16-13/h2-8H,9H2,1H3,(H,17,20)
InChIKey
PEAOFLDIVZRQCS-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)Cn1c(=O)[nH]c2c(c1=O)nccc2
Isomeric Smiles
n1(c(=O)[nH]c2c(c1=O)nccc2)Cc1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
10.742568
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.3555987
LogD (pH = 7.4)
2.3554158
Log P
2.3556035
Molar Refractivity
77.2197
Polarizability
28.56058
Polar Surface Area
71.53
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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