Molecule

ID:65967

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇N₃
Molecular Mass
191.27278
Exact Mass
191.14224756
Charge
0
InChI
InChI=1S/C11H17N3/c12-11-10(7-4-8-13-11)14-9-5-2-1-3-6-9/h4,7-9,14H,1-3,5-6H2,(H2,12,13)
InChIKey
CLWPVXLYGATKMF-UHFFFAOYSA-N
Canonic Smiles
Nc1ncccc1NC1CCCCC1
Isomeric Smiles
c1(c(NC2CCCCC2)cccn1)N
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.5010402
LogD (pH = 7.4)
1.5875987
Log P
1.7931536
Molar Refractivity
60.123
Polarizability
22.031841
Polar Surface Area
50.94
Rotatable Bonds
2
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