Molecule

ID:105367

General Information
Structure
MolImage
Molecular Formula
C₁₉H₃₀O₂
Molecular Mass
290.4403
Exact Mass
290.2245802
Charge
0
InChI
InChI=1S/C19H30O2/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/h12-16,20H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,18-,19-/m0/s1
InChIKey
QGXBDMJGAMFCBF-LUJOEAJASA-N
Canonic Smiles
O[C@H]1CC[C@]2([C@H](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@H]([C@@H]2CC1)CC[C@H]1C[C@@H](O)CC[C@]31C)C
Calculated Properties
JChem
LogD (pH = 7.4)
3.77
LogD (pH = 5.5)
3.77
Log P
3.77
Rotatable Bonds
0
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
-1.36
Polar Surface Area
37.30
Polarizability
34.70
Molar Refractivity
83.81
LOG S
-4.16
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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