Molecule

ID:120513

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄O₄
Molecular Mass
174.19436
Exact Mass
174.08920893
Charge
0
InChI
InChI=1S/C8H14O4/c1(9-3-7-5-11-7)2-10-4-8-6-12-8/h7-8H,1-6H2
InChIKey
AOBIOSPNXBMOAT-UHFFFAOYSA-N
Canonic Smiles
O(CC1OC1)CCOCC1OC1
Isomeric Smiles
O1C(C1)COCCOCC1OC1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-0.23989284
LogD (pH = 7.4)
-0.23989284
Log P
-0.23989284
Molar Refractivity
41.5454
Polarizability
16.865042
Polar Surface Area
40.22
Rotatable Bonds
7
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