Molecule

ID:77867

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₄
Molecular Mass
198.2239
Exact Mass
198.09054634
Charge
0
InChI
InChI=1S/C11H10N4/c1-15-9-3-2-7-4-5-13-6-8(7)10(9)14-11(15)12/h2-6H,1H3,(H2,12,14)
InChIKey
XZSISKRWSRRUHV-UHFFFAOYSA-N
Canonic Smiles
Nc1nc2c(n1C)ccc1c2cncc1
Isomeric Smiles
n1ccc2c(c1)c1c(cc2)n(c(n1)N)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.23383978
LogD (pH = 7.4)
0.81090707
Log P
1.1103084
Molar Refractivity
58.3322
Polarizability
24.231081
Polar Surface Area
56.73
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