Molecule

ID:74097

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₄
Molecular Mass
162.1918
Exact Mass
162.09054634
Charge
0
InChI
InChI=1S/C8H10N4/c1-5-3-6-7(10-4-5)11-8(9)12(6)2/h3-4H,1-2H3,(H2,9,10,11)
InChIKey
NEOGGGHDLGYATP-UHFFFAOYSA-N
Canonic Smiles
Cc1cnc2c(c1)n(C)c(n2)N
Isomeric Smiles
n1c(n(c2cc(cnc12)C)C)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.5238236
LogD (pH = 7.4)
0.949202
Log P
0.9592576
Molar Refractivity
48.496
Polarizability
17.747686
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