Molecule

ID:84757

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈O₄
Molecular Mass
262.30102
Exact Mass
262.12050906
Charge
0
InChI
InChI=1S/C15H18O4/c1-18-13-8-6-11(7-9-15(16)17)10-14(13)19-12-4-2-3-5-12/h6-10,12H,2-5H2,1H3,(H,16,17)
InChIKey
MXGUFYRGSYPSIJ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1OC1CCCC1)/C=C/C(=O)O
Isomeric Smiles
O(c1c(ccc(c1)/C=C/C(=O)O)OC)C1CCCC1
Calculated Properties
JChem
Acid pKa
3.851794
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.5232562
LogD (pH = 7.4)
-0.062383022
Log P
3.1754456
Molar Refractivity
72.3995
Polarizability
27.873985
Polar Surface Area
55.76
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