Molecule

ID:115651

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₆
Molecular Mass
214.2266
Exact Mass
214.09669435
Charge
0
InChI
InChI=1S/C10H10N6/c1-5-3-2-4-6-7(5)12-9-8(6)15-16-10(13-9)14-11/h2-4H,11H2,1H3,(H2,12,13,14,16)
InChIKey
IENCLQAXYAPTJO-UHFFFAOYSA-N
Canonic Smiles
NNc1nnc2c(n1)[nH]c1c2cccc1C
Isomeric Smiles
c12c(c3c([nH]1)c(ccc3)C)nnc(n2)NN
Calculated Properties
JChem
Acid pKa
-0.65978354
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-1.575148
LogD (pH = 7.4)
0.2758154
Log P
1.5247678
Molar Refractivity
64.2743
Polarizability
24.041437
Polar Surface Area
92.51
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
暂无数据
点击上传数据
References
Bioactivity
Navigation