Molecule

ID:92488

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅N₃
Molecular Mass
201.2676
Exact Mass
201.1265975
Charge
0
InChI
InChI=1S/C12H15N3/c1-13-9-11-8-12(14-15(11)2)10-6-4-3-5-7-10/h3-8,13H,9H2,1-2H3
InChIKey
QFUHILGXHQHXHY-UHFFFAOYSA-N
Canonic Smiles
CNCc1cc(nn1C)c1ccccc1
Isomeric Smiles
n1c(c2ccccc2)cc(n1C)CNC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0723126
LogD (pH = 7.4)
0.4694219
Log P
1.9125315
Molar Refractivity
72.8511
Polarizability
25.130245
Polar Surface Area
29.85
Rotatable Bonds
3
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