Molecule

ID:74165

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄O₂
Molecular Mass
166.21696
Exact Mass
166.09937969
Charge
0
InChI
InChI=1S/C10H14O2/c1-9-3-7(11)5-10(9,2)6-8(12)4-9/h3-6H2,1-2H3/t9-,10-
InChIKey
KGZWVKASYOPUET-MGCOHNPYSA-N
Canonic Smiles
O=C1C[C@]2([C@@](C1)(C)CC(=O)C2)C
Isomeric Smiles
O=C1C[C@@]2([C@@](C1)(CC(=O)C2)C)C
Calculated Properties
JChem
Acid pKa
19.760975
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.0193831
LogD (pH = 7.4)
1.0193831
Log P
1.0193831
Molar Refractivity
45.134
Polarizability
17.841835
Polar Surface Area
34.14
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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