Molecule

ID:76936

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂N₂O₃
Molecular Mass
268.26738
Exact Mass
268.08479225
Charge
0
InChI
InChI=1S/C15H12N2O3/c1-8-6-9(20-2)7-12-13(8)17-14-10(15(18)19)4-3-5-11(14)16-12/h3-7H,1-2H3,(H,18,19)
InChIKey
MWYAWOIYZAYOOL-UHFFFAOYSA-N
Canonic Smiles
COc1cc(C)c2c(c1)nc1c(n2)c(ccc1)C(=O)O
Isomeric Smiles
n1c2c(nc3c(cc(cc13)OC)C)c(ccc2)C(=O)O
Calculated Properties
JChem
Acid pKa
2.8714602
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.48743448
LogD (pH = 7.4)
-0.41522676
Log P
3.0735888
Molar Refractivity
71.9172
Polarizability
30.190968
Polar Surface Area
72.31
Rotatable Bonds
2
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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