Molecule

ID:79937

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈O₂
Molecular Mass
170.24872
Exact Mass
170.13067982
Charge
0
InChI
InChI=1S/C10H18O2/c1-8-4-9(12-7-11)6-10(2,3)5-8/h7-9H,4-6H2,1-3H3
InChIKey
MTZUWXFUKUHVMV-UHFFFAOYSA-N
Canonic Smiles
O=COC1CC(C)CC(C1)(C)C
Isomeric Smiles
O=COC1CC(CC(C1)C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5472054
LogD (pH = 7.4)
2.5472054
Log P
2.5472054
Molar Refractivity
47.5088
Polarizability
19.182886
Polar Surface Area
26.3
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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