Molecule

ID:128865

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₄
Molecular Mass
190.24496
Exact Mass
190.12184647
Charge
0
InChI
InChI=1S/C10H14N4/c1-2-3-6-12-10-13-8-5-4-7-11-9(8)14-10/h4-5,7H,2-3,6H2,1H3,(H2,11,12,13,14)
InChIKey
YBYKVVMDXOACKR-UHFFFAOYSA-N
Canonic Smiles
CCCCNc1nc2c(n1)ccc[nH]2
Isomeric Smiles
c1c[nH]c2nc(nc2c1)NCCCC
Calculated Properties
JChem
Acid pKa
8.790907
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.377059
LogD (pH = 7.4)
2.3606236
Log P
2.377273
Molar Refractivity
57.4028
Polarizability
21.583187
Polar Surface Area
53.6
Rotatable Bonds
4
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