Molecule

ID:116112

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉N₃
Molecular Mass
193.28866
Exact Mass
193.15789762
Charge
0
InChI
InChI=1S/C11H19N3/c1-2-11-13-7-8-14(11)9-10-3-5-12-6-4-10/h7-8,10,12H,2-6,9H2,1H3
InChIKey
AEDQWEJVTQRRII-UHFFFAOYSA-N
Canonic Smiles
CCc1nccn1CC1CCNCC1
Isomeric Smiles
n1(c(ncc1)CC)CC1CCNCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.2192557
LogD (pH = 7.4)
-1.9631227
Log P
1.0064114
Molar Refractivity
57.9515
Polarizability
22.515806
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