Molecule

ID:90777

General Information
Structure
MolImage
Molecular Formula
C₇H₆N₂O₂
Molecular Mass
150.13474
Exact Mass
150.04292744
Charge
0
InChI
InChI=1S/C7H6N2O2/c1-10-5-2-3-6-7(4-5)9-11-8-6/h2-4H,1H3
InChIKey
VQKJLIJNBRMZJE-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)non2
Isomeric Smiles
o1nc2ccc(cc2n1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.1655972
LogD (pH = 7.4)
1.1655972
Log P
1.1655972
Molar Refractivity
38.598
Polarizability
15.488594
Polar Surface Area
48.15
Rotatable Bonds
1
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