Molecule

ID:74804

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂O₃
Molecular Mass
144.16838
Exact Mass
144.07864424
Charge
0
InChI
InChI=1S/C7H12O3/c1-9-7(8)6-2-4-10-5-3-6/h6H,2-5H2,1H3
InChIKey
CNCMVGXVKBJYNU-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1CCOCC1
Isomeric Smiles
O=C(C1CCOCC1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.34355414
LogD (pH = 7.4)
0.34355414
Log P
0.34355414
Molar Refractivity
36.1635
Polarizability
14.39813
Polar Surface Area
35.53
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
References
Bioactivity
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