Molecule

ID:66038

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅N₃
Molecular Mass
201.2676
Exact Mass
201.1265975
Charge
0
InChI
InChI=1S/C12H15N3/c1-2-5-10(6-3-1)15-9-14-12-11(15)7-4-8-13-12/h4,7-10H,1-3,5-6H2
InChIKey
VYYBQUGTAYYVJY-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CC1)n1cnc2c1cccn2
Isomeric Smiles
n1(cnc2c1cccn2)C1CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3872778
LogD (pH = 7.4)
2.389751
Log P
2.3897827
Molar Refractivity
60.2953
Polarizability
23.343235
Polar Surface Area
30.71
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