Molecule

ID:42631

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₈O₃
Molecular Mass
292.41312
Exact Mass
292.20384476
Charge
0
InChI
InChI=1S/C18H28O3/c1-17(2,3)13-10-12(8-9-15(19)21-7)11-14(16(13)20)18(4,5)6/h10-11,20H,8-9H2,1-7H3
InChIKey
PXMJCECEFTYEKE-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
Isomeric Smiles
c1(c(C(C)(C)C)cc(cc1C(C)(C)C)CCC(=O)OC)O
Calculated Properties
JChem
Acid pKa
10.754007
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.988002
LogD (pH = 7.4)
4.987813
Log P
4.988004
Molar Refractivity
86.0484
Polarizability
33.637238
Polar Surface Area
46.53
Rotatable Bonds
6
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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