Molecule

ID:17540

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇NO₄
Molecular Mass
263.28908
Exact Mass
263.11575803
Charge
0
InChI
InChI=1S/C14H17NO4/c1-18-13-8-11(9-16)4-5-12(13)19-10-14(17)15-6-2-3-7-15/h4-5,8-9H,2-3,6-7,10H2,1H3
InChIKey
WQPVWMPVTAJJCJ-UHFFFAOYSA-N
Canonic Smiles
COc1cc(C=O)ccc1OCC(=O)N1CCCC1
Isomeric Smiles
c1(c(cc(cc1)C=O)OC)OCC(=O)N1CCCC1
Calculated Properties
JChem
Acid pKa
16.582253
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.8945959
LogD (pH = 7.4)
0.8945959
Log P
0.8945959
Molar Refractivity
70.8096
Polarizability
26.97783
Polar Surface Area
55.84
Rotatable Bonds
5
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