Molecule

ID:11684

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉NO₃
Molecular Mass
225.28416
Exact Mass
225.13649347
Charge
0
InChI
InChI=1S/C12H19NO3/c1-15-11-6-3-5-10(12(11)16-2)9-13-7-4-8-14/h3,5-6,13-14H,4,7-9H2,1-2H3
InChIKey
UORGOETVDFBNAN-UHFFFAOYSA-N
Canonic Smiles
COc1c(CNCCCO)cccc1OC
Isomeric Smiles
c1(c(CNCCCO)cccc1OC)OC
Calculated Properties
JChem
Acid pKa
15.933823
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.3395915
LogD (pH = 7.4)
-0.7409687
Log P
0.5861098
Molar Refractivity
63.3901
Polarizability
24.872292
Polar Surface Area
50.72
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