Molecule

ID:125426

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/h11,13-16,20H,3-10H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1
InChIKey
VMYTXBKVYDESSJ-USOAJAOKSA-N
Canonic Smiles
O[C@H]1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C)C
Isomeric Smiles
O=C1[C@]2(CC[C@@H]3[C@@]4(C(=C[C@@H](O)CC4)CC[C@H]3[C@@H]2CC1)C)C
Calculated Properties
JChem
Acid pKa
17.504416
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.5176125
LogD (pH = 7.4)
3.5176125
Log P
3.5176125
Molar Refractivity
84.5049
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
No Data Available
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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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