Molecule

ID:63501

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₇NO₂
Molecular Mass
241.36968
Exact Mass
241.20417911
Charge
0
InChI
InChI=1S/C14H27NO2/c1-5-6-7-12-8-10-15(11-9-12)13(16)17-14(2,3)4/h12H,5-11H2,1-4H3
InChIKey
IHKGPZWPUATOIW-UHFFFAOYSA-N
Canonic Smiles
CCCCC1CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
O=C(OC(C)(C)C)N1CCC(CCCC)CC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.561406
LogD (pH = 7.4)
3.561406
Log P
3.561406
Molar Refractivity
70.1821
Polarizability
27.68496
Polar Surface Area
29.54
Rotatable Bonds
5
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