Molecule

ID:74168

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈O₄
Molecular Mass
250.29032
Exact Mass
250.12050906
Charge
0
InChI
InChI=1S/C14H18O4/c1-16-12-8-7-10(14(15)17-2)9-13(12)18-11-5-3-4-6-11/h7-9,11H,3-6H2,1-2H3
InChIKey
NLEJDVYGAWCKPC-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(c(c1)OC1CCCC1)OC
Isomeric Smiles
O(C(=O)c1cc(c(cc1)OC)OC1CCCC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.016082
LogD (pH = 7.4)
3.016082
Log P
3.016082
Molar Refractivity
67.4229
Polarizability
26.433186
Polar Surface Area
44.76
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