Molecule

ID:20109

General Information
Structure
Molecular Formula
C₁₁H₁₇NO₃
Molecular Mass
211.25758
Exact Mass
211.12084341
Charge
0
InChI
InChI=1S/C11H17NO3/c1-13-6-7-14-8-9-15-11-4-2-10(12)3-5-11/h2-5H,6-9,12H2,1H3
InChIKey
IWXQVPLYQQTJTR-UHFFFAOYSA-N
Canonic Smiles
COCCOCCOc1ccc(cc1)N
Isomeric Smiles
c1(N)ccc(cc1)OCCOCCOC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.77346927
LogD (pH = 7.4)
0.89097065
Log P
0.8926976
Molar Refractivity
59.3086
Polarizability
22.741417
Polar Surface Area
53.71
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