Molecule

ID:13561

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₉N₃
Molecular Mass
263.42156
Exact Mass
263.23614794
Charge
0
InChI
InChI=1S/C16H29N3/c1-5-19(6-2)16-10-8-15(9-11-16)14-17-12-7-13-18(3)4/h8-11,17H,5-7,12-14H2,1-4H3
InChIKey
LLMYSLRVMKGGSF-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ccc(cc1)CNCCCN(C)C)CC
Isomeric Smiles
c1c(ccc(c1)CNCCCN(C)C)N(CC)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.467201
LogD (pH = 7.4)
-0.85052
Log P
2.4318588
Molar Refractivity
86.1163
Polarizability
32.994015
Polar Surface Area
18.51
Rotatable Bonds
9
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