Molecule

ID:83475

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₆O₄
Molecular Mass
294.38594
Exact Mass
294.18310931
Charge
0
InChI
InChI=1S/C17H26O4/c1-11(18)20-15(3,4)16-6-13-5-14(7-16)9-17(8-13,10-16)21-12(2)19/h13-14H,5-10H2,1-4H3
InChIKey
RLXDPLARQIAXJE-UHFFFAOYSA-N
Canonic Smiles
CC(=O)OC12CC3CC(C1)CC(C2)(C3)C(OC(=O)C)(C)C
Isomeric Smiles
O(C(C12CC3(OC(=O)C)CC(C1)CC(C2)C3)(C)C)C(=O)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1715078
LogD (pH = 7.4)
2.1715078
Log P
2.1715078
Molar Refractivity
77.4879
Polarizability
31.403383
Polar Surface Area
52.6
Rotatable Bonds
5
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
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References
Bioactivity
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