Molecule

ID:25016

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁NO₄
Molecular Mass
279.33154
Exact Mass
279.14705816
Charge
0
InChI
InChI=1S/C15H21NO4/c1-2-19-15-11-13(12-17)3-4-14(15)20-10-7-16-5-8-18-9-6-16/h3-4,11-12H,2,5-10H2,1H3
InChIKey
KSIGUWFSCPOXGJ-UHFFFAOYSA-N
Canonic Smiles
CCOc1cc(C=O)ccc1OCCN1CCOCC1
Isomeric Smiles
c1(c(ccc(c1)C=O)OCCN1CCOCC1)OCC
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
1.2372688
LogD (pH = 7.4)
1.5221915
Log P
1.5273577
Molar Refractivity
77.4106
Polarizability
29.807693
Polar Surface Area
48.0
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