Molecule

ID:29661

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃NO₃
Molecular Mass
253.33732
Exact Mass
253.1677936
Charge
0
InChI
InChI=1S/C14H23NO3/c1-16-9-3-8-15-12-13-4-6-14(7-5-13)18-11-10-17-2/h4-7,15H,3,8-12H2,1-2H3
InChIKey
FDPVZEQUWBIPNB-UHFFFAOYSA-N
Canonic Smiles
COCCCNCc1ccc(cc1)OCCOC
Isomeric Smiles
c1(ccc(cc1)CNCCCOC)OCCOC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.8491424
LogD (pH = 7.4)
-0.8513453
Log P
1.3399321
Molar Refractivity
72.7216
Polarizability
28.6419
Polar Surface Area
39.72
Rotatable Bonds
10
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