Molecule

ID:15398

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₃NO
Molecular Mass
185.30642
Exact Mass
185.17796436
Charge
0
InChI
InChI=1S/C11H23NO/c1-11(2,3)9-13-8-10-4-6-12-7-5-10/h10,12H,4-9H2,1-3H3
InChIKey
FKWXWZAOHSSTLU-UHFFFAOYSA-N
Canonic Smiles
CC(COCC1CCNCC1)(C)C
Isomeric Smiles
N1CCC(COCC(C)(C)C)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.3802091
LogD (pH = 7.4)
-0.9194546
Log P
1.8512124
Molar Refractivity
56.1292
Polarizability
22.48926
Polar Surface Area
21.26
Rotatable Bonds
4
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