Molecule

ID:136377

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄O₄
Molecular Mass
174.19436
Exact Mass
174.08920893
Charge
0
InChI
InChI=1S/C8H14O4/c1-2-11-8(9)3-4-12-7-5-10-6-7/h7H,2-6H2,1H3
InChIKey
FNMLRKVYAHHGRX-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CCOC1COC1
Isomeric Smiles
CCOC(=O)CCOC1COC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.1835141
LogD (pH = 7.4)
0.1835141
Log P
0.1835141
Molar Refractivity
42.0589
Polarizability
16.966852
Polar Surface Area
44.76
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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