Molecule

ID:83546

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₆O₄
Molecular Mass
294.38594
Exact Mass
294.18310931
Charge
0
InChI
InChI=1S/C17H26O4/c1-19-17(18)15-11-6-10-7-12(9-11)16(13(15)8-10)21-14-4-2-3-5-20-14/h10-16H,2-9H2,1H3/t10?,11?,12?,13?,14?,15?,16-/m0/s1
InChIKey
YWKYPYDRLXTVKQ-VMOZUDSHSA-N
Canonic Smiles
COC(=O)C1C2CC3CC1[C@H](C(C2)C3)OC1CCCCO1
Isomeric Smiles
O([C@@H]1C2C(C3CC1CC(C2)C3)C(=O)OC)C1OCCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.569558
LogD (pH = 7.4)
2.569558
Log P
2.569558
Molar Refractivity
77.5052
Polarizability
31.297148
Polar Surface Area
44.76
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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