Molecule

ID:129981

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₄O₄
Molecular Mass
292.37006
Exact Mass
292.16745925
Charge
0
InChI
InChI=1S/C17H24O4/c1-10-5-6-15(3)12(7-10)21-14-8-13(20-11(2)18)16(15,4)17(14)9-19-17/h7,12-14H,5-6,8-9H2,1-4H3/t12-,13-,14-,15+,16-,17+/m1/s1
InChIKey
HNEGCRMUYSKRRR-IKIFYQGPSA-N
Canonic Smiles
CC(=O)O[C@@H]1C[C@@H]2[C@@]3([C@@]1(C)[C@@]1(C)CCC(=C[C@H]1O2)C)OC3
Isomeric Smiles
CC1=C[C@@H]2[C@](CC1)([C@]1([C@@H](C[C@H]([C@]31CO3)O2)OC(=O)C)C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.90694
LogD (pH = 7.4)
1.90694
Log P
1.90694
Molar Refractivity
77.0764
Polarizability
31.051659
Polar Surface Area
48.06
Rotatable Bonds
2
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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