Molecule

ID:53777

General Information
Structure
MolImage
Molecular Formula
C₂₁H₃₀O₆
Molecular Mass
378.4593
Exact Mass
378.20423868
Charge
0
InChI
InChI=1S/C21H30O6/c1-21(2,3)27-20(23)15-8-6-14(7-9-15)13-26-17-11-10-16(19(22)25-5)12-18(17)24-4/h10-12,14-15H,6-9,13H2,1-5H3
InChIKey
NTHAOHWPIWMJFO-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(c(c1)OC)OCC1CCC(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(c1cc(c(cc1)OCC1CCC(CC1)C(=O)OC(C)(C)C)OC)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.1982617
LogD (pH = 7.4)
4.1982617
Log P
4.1982617
Molar Refractivity
101.5693
Polarizability
40.101517
Polar Surface Area
71.06
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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