Molecule

ID:1278

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₈O₂
Molecular Mass
288.42442
Exact Mass
288.20893014
Charge
0
InChI
InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,12,14-17,21H,3-6,8,10-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1
InChIKey
OKJCFMUGMSVJBG-ABEVXSGRSA-N
Canonic Smiles
O=C1C=C[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C)C
Isomeric Smiles
O[C@@H]1[C@@]2([C@H]([C@H]3[C@@H]([C@@]4([C@@H](CC3)CC(=O)C=C4)C)CC2)CC1)C
Calculated Properties
JChem
LogD (pH = 7.4)
3.41
LogD (pH = 5.5)
3.41
Log P
3.41
Rotatable Bonds
0
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
-0.88
Polar Surface Area
37.30
Polarizability
33.94
Molar Refractivity
84.70
LOG S
-4.40
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
References
Bioactivity
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