Molecule

ID:58469

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄O₄
Molecular Mass
280.35936
Exact Mass
280.16745925
Charge
0
InChI
InChI=1S/C16H24O4/c1-19-13(17)8-15-4-11-3-12(5-15)7-16(6-11,10-15)9-14(18)20-2/h11-12H,3-10H2,1-2H3
InChIKey
SGBCQIADOMIJEZ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CC12CC3CC(C1)CC(C2)(C3)CC(=O)OC
Isomeric Smiles
C1C2CC3(CC1CC(C3)(C2)CC(=O)OC)CC(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0285728
LogD (pH = 7.4)
2.0285728
Log P
2.0285728
Molar Refractivity
73.2172
Polarizability
29.568169
Polar Surface Area
52.6
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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