Molecule

ID:130985

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈O₄
Molecular Mass
202.24752
Exact Mass
202.12050906
Charge
0
InChI
InChI=1S/C10H18O4/c1(3-11-5-9-7-13-9)2-4-12-6-10-8-14-10/h9-10H,1-8H2
InChIKey
SHKUUQIDMUMQQK-UHFFFAOYSA-N
Canonic Smiles
C(COCC1OC1)CCOCC1OC1
Isomeric Smiles
C1C(O1)COCCCCOCC1CO1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.33742958
LogD (pH = 7.4)
0.33742958
Log P
0.33742958
Molar Refractivity
51.0554
Polarizability
20.514818
Polar Surface Area
40.22
Rotatable Bonds
9
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
References
Bioactivity
Navigation