Molecule

ID:131650

General Information
Structure
MolImage
Molecular Formula
C₁₉H₃₀O₂
Molecular Mass
290.4403
Exact Mass
290.2245802
Charge
0
InChI
InChI=1S/C19H30O2/c1-18-9-4-3-5-12(18)6-7-13-14(18)8-10-19(2)15(13)11-16(20)17(19)21/h12-16,20H,3-11H2,1-2H3/t12-,13-,14+,15+,16-,18+,19+/m1/s1
InChIKey
BHZXMBDTBMXJAX-ZLOBMTTQSA-N
Canonic Smiles
O[C@@H]1C[C@@H]2[C@](C1=O)(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)CCCC2
Isomeric Smiles
C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2([C@H]1C[C@H](C2=O)O)C
Calculated Properties
JChem
Acid pKa
13.382232
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.282937
LogD (pH = 7.4)
4.2829366
Log P
4.282937
Molar Refractivity
83.6316
Polarizability
33.49998
Polar Surface Area
37.3
Rotatable Bonds
0
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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