Molecule

ID:77055

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂N₂O₃
Molecular Mass
268.26738
Exact Mass
268.08479225
Charge
0
InChI
InChI=1S/C15H12N2O3/c1-20-13-5-3-2-4-10(13)14-16-11-7-6-9(15(18)19)8-12(11)17-14/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKey
HTDWLNMROHKKJE-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1c1nc2c([nH]1)ccc(c2)C(=O)O
Isomeric Smiles
[nH]1c2ccc(cc2nc1c1ccccc1OC)C(=O)O
Calculated Properties
JChem
Acid pKa
3.269806
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.078569
LogD (pH = 7.4)
-0.4739195
Log P
2.1367455
Molar Refractivity
83.7895
Polarizability
29.762045
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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