Molecule

ID:132054

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/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1
InChIKey
MUMGGOZAMZWBJJ-DYKIIFRCSA-N
Canonic Smiles
O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C)C
Isomeric Smiles
C1[C@H]2[C@@H]3CC[C@@H]([C@]3(CC[C@@H]2[C@@]2(C(=CC(=O)CC2)C1)C)C)O
Calculated Properties
JChem
Acid pKa
19.08686
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.3654232
LogD (pH = 7.4)
3.3654232
Log P
3.3654232
Molar Refractivity
84.4298
Polarizability
33.260063
Polar Surface Area
37.3
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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