Molecule

ID:122890

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇NO₂
Molecular Mass
195.25818
Exact Mass
195.12592879
Charge
0
InChI
InChI=1S/C11H17NO2/c1-10-4-2-5-11(12-10)6-3-8-14-9-7-13/h2,4-5,13H,3,6-9H2,1H3
InChIKey
OIUHSFKEXYXWSD-UHFFFAOYSA-N
Canonic Smiles
OCCOCCCc1cccc(n1)C
Isomeric Smiles
n1c(cccc1CCCOCCO)C
Calculated Properties
JChem
Acid pKa
15.12132
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.15055558
LogD (pH = 7.4)
0.6471328
Log P
0.6797641
Molar Refractivity
55.2842
Polarizability
21.635328
Polar Surface Area
42.35
Rotatable Bonds
6
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