Molecule

ID:72606

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂O₅
Molecular Mass
282.33218
Exact Mass
282.1467238
Charge
0
InChI
InChI=1S/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14+,15-/m1/s1
InChIKey
BLUAFEHZUWYNDE-DKGJTOOQSA-N
Canonic Smiles
O=C1O[C@@H]2O[C@]3(C)CC[C@@H]4[C@]2([C@H]([C@H]1C)CC[C@H]4C)OO3
Isomeric Smiles
[C@]12(O[C@@H]3[C@]4([C@@H](CC1)[C@@H](CC[C@H]4[C@H](C(=O)O3)C)C)OO2)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.114058
LogD (pH = 7.4)
3.114058
Log P
3.114058
Molar Refractivity
68.6817
Polarizability
28.359936
Polar Surface Area
53.99
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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