Molecule

ID:136925

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₀O₆
Molecular Mass
366.4486
Exact Mass
366.20423868
Charge
0
InChI
InChI=1S/C20H30O6/c21-19(23-11-13-5-7-15-17(9-13)25-15)3-1-2-4-20(22)24-12-14-6-8-16-18(10-14)26-16/h13-18H,1-12H2
InChIKey
DJUWPHRCMMMSCV-UHFFFAOYSA-N
Canonic Smiles
O=C(OCC1CCC2C(C1)O2)CCCCC(=O)OCC1CCC2C(C1)O2
Isomeric Smiles
C1CC2C(O2)CC1COC(=O)CCCCC(=O)OCC1CCC2C(C1)O2
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.411172
LogD (pH = 7.4)
2.411172
Log P
2.411172
Molar Refractivity
92.809
Polarizability
37.63203
Polar Surface Area
77.66
Rotatable Bonds
11
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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