Molecule

ID:65157

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄O₃
Molecular Mass
146.18426
Exact Mass
146.09429431
Charge
0
InChI
InChI=1S/C7H14O3/c1-8-7(9-2)3-5-10-6-4-7/h3-6H2,1-2H3
InChIKey
FBZWVZPRCICVPX-UHFFFAOYSA-N
Canonic Smiles
COC1(OC)CCOCC1
Isomeric Smiles
C1COCCC1(OC)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.95986474
LogD (pH = 7.4)
0.95986474
Log P
0.95986474
Molar Refractivity
36.8793
Polarizability
15.006049
Polar Surface Area
27.69
Rotatable Bonds
2
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
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References
Bioactivity
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