Molecule

ID:108684

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁NO₂
Molecular Mass
213.23194
Exact Mass
213.0789786
Charge
0
InChI
InChI=1S/C13H11NO2/c15-12-7-3-1-5-10(12)9-14-11-6-2-4-8-13(11)16/h1-9,15-16H
InChIKey
CHBGIQHEGBKNGA-UHFFFAOYSA-N
Canonic Smiles
Oc1ccccc1/C=N/c1ccccc1O
Isomeric Smiles
Oc1ccccc1/C=N/c1ccccc1O
Calculated Properties
JChem
Acid pKa
8.166748
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.239441
LogD (pH = 7.4)
3.1704748
Log P
3.240376
Molar Refractivity
65.3494
Polarizability
23.672625
Polar Surface Area
52.82
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation