Molecule

ID:73434

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈O₄
Molecular Mass
250.29032
Exact Mass
250.12050906
Charge
0
InChI
InChI=1S/C14H18O4/c1-3-18-14(16)10-6-8-12(15)11-7-4-5-9-13(11)17-2/h4-5,7,9H,3,6,8,10H2,1-2H3
InChIKey
CNJCVYRFXWNVPG-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CCCC(=O)c1ccccc1OC
Isomeric Smiles
O=C(CCCC(=O)c1ccccc1OC)OCC
Calculated Properties
JChem
Acid pKa
15.494167
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.1453555
LogD (pH = 7.4)
2.1453555
Log P
2.1453555
Molar Refractivity
67.936
Polarizability
26.564602
Polar Surface Area
52.6
Rotatable Bonds
8
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