Molecule

ID:67766

General Information
Structure
MolImage
Molecular Formula
C₁₂H₆N₂O₂
Molecular Mass
210.18824
Exact Mass
210.04292744
Charge
0
InChI
InChI=1S/C12H6N2O2/c15-11-7-3-1-5-13-9(7)10-8(12(11)16)4-2-6-14-10/h1-6H
InChIKey
KCALAFIVPCAXJI-UHFFFAOYSA-N
Canonic Smiles
O=C1C(=O)c2cccnc2c2c1cccn2
Isomeric Smiles
c12c(C(=O)C(=O)c3cccnc13)cccn2
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.2550243
LogD (pH = 7.4)
1.2550614
Log P
1.2550619
Molar Refractivity
56.0932
Polarizability
22.549469
Polar Surface Area
59.92
Rotatable Bonds
0
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