Molecule

ID:82047

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄O₃
Molecular Mass
182.21636
Exact Mass
182.09429431
Charge
0
InChI
InChI=1S/C10H14O3/c1-9(2)6-4-5-10(9,3)8(12)13-7(6)11/h6H,4-5H2,1-3H3
InChIKey
VFZDNKRDYPTSTP-UHFFFAOYSA-N
Canonic Smiles
O=C1OC(=O)C2(C(C1CC2)(C)C)C
Isomeric Smiles
O1C(=O)C2(C(C(C1=O)CC2)(C)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9455849
LogD (pH = 7.4)
1.9455849
Log P
1.9455849
Molar Refractivity
45.8041
Polarizability
18.563194
Polar Surface Area
43.37
Rotatable Bonds
0
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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