Molecule

ID:131460

General Information
Structure
MolImage
Molecular Formula
C₁₉H₃₀O₃
Molecular Mass
306.4397
Exact Mass
306.21949482
Charge
0
InChI
InChI=1S/C19H30O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h11-15,17,20-21H,3-10H2,1-2H3/t11-,12+,13+,14+,15+,17-,18+,19+/m1/s1
InChIKey
PIXFHVWJOVNKQK-DVGQRDSXSA-N
Canonic Smiles
O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2([C@H]1CCC2=O)C)C
Isomeric Smiles
C[C@]12CC[C@@H](C[C@H]1CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CCC2=O)C)O)O
Calculated Properties
JChem
Acid pKa
14.889388
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.4585197
LogD (pH = 7.4)
2.4585197
Log P
2.4585197
Molar Refractivity
85.4014
Polarizability
34.120876
Polar Surface Area
57.53
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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