Molecule

ID:136788

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₂O₂
Molecular Mass
210.31258
Exact Mass
210.16197994
Charge
0
InChI
InChI=1S/C13H22O2/c1-5-11(14)15-10-8-9-6-7-13(10,4)12(9,2)3/h9-10H,5-8H2,1-4H3/t9-,10-,13+/m0/s1
InChIKey
FAFMZORPAAGQFV-OUJBWJOFSA-N
Canonic Smiles
CCC(=O)O[C@H]1C[C@H]2C([C@]1(C)CC2)(C)C
Isomeric Smiles
CCC(=O)O[C@H]1C[C@@H]2CC[C@]1(C2(C)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1311193
LogD (pH = 7.4)
3.1311193
Log P
3.1311193
Molar Refractivity
59.0927
Polarizability
23.978514
Polar Surface Area
26.3
Rotatable Bonds
3
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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