Molecule

ID:66403

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂N₂O₃
Molecular Mass
268.26738
Exact Mass
268.08479225
Charge
0
InChI
InChI=1S/C15H12N2O3/c1-20-12-5-4-9-6-11(3-2-10(9)7-12)13-8-14(15(18)19)17-16-13/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKey
SAWHZXBIHVSQLY-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)ccc(c2)c1[nH]nc(c1)C(=O)O
Isomeric Smiles
[nH]1nc(cc1c1cc2c(cc1)cc(cc2)OC)C(=O)O
Calculated Properties
JChem
Acid pKa
3.1671467
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.41058084
LogD (pH = 7.4)
-0.7313435
Log P
2.7198951
Molar Refractivity
74.5567
Polarizability
30.448843
Polar Surface Area
75.21
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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