Molecule

ID:13583

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₉N₃
Molecular Mass
227.38946
Exact Mass
227.23614794
Charge
0
InChI
InChI=1S/C13H29N3/c1-4-15(5-2)12-9-14-13-7-10-16(6-3)11-8-13/h13-14H,4-12H2,1-3H3
InChIKey
BTOVAHLUULIHBF-UHFFFAOYSA-N
Canonic Smiles
CCN(CCNC1CCN(CC1)CC)CC
Isomeric Smiles
C1N(CCC(C1)NCCN(CC)CC)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-5.9106174
LogD (pH = 7.4)
-2.988663
Log P
0.92299604
Molar Refractivity
72.4094
Polarizability
28.563572
Polar Surface Area
18.51
Rotatable Bonds
7
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