Molecule

ID:132325

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₆O₄
Molecular Mass
330.41804
Exact Mass
330.18310931
Charge
0
InChI
InChI=1S/C20H26O4/c1-11-9-19-10-12(11)5-6-13(19)20-8-4-7-18(2,17(22)24-20)15(20)14(19)16(21)23-3/h12-15H,1,4-10H2,2-3H3/t12-,13-,14-,15-,18-,19+,20-/m1/s1
InChIKey
GKRMJALKMNRHGF-WARWBDHMSA-N
Canonic Smiles
COC(=O)[C@H]1[C@H]2[C@]3([C@H]4[C@]51CC(=C)[C@@H](C5)CC4)CCC[C@@]2(C)C(=O)O3
Isomeric Smiles
C[C@@]12CCC[C@@]3([C@@H]1[C@@H]([C@]14[C@H]3CC[C@@H](C1)C(=C)C4)C(=O)OC)OC2=O
Calculated Properties
JChem
LogD (pH = 7.4)
2.94
LogD (pH = 5.5)
2.94
Log P
2.94
Rotatable Bonds
2
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
-6.80
Polar Surface Area
52.60
Polarizability
35.88
Molar Refractivity
87.33
LOG S
-3.90
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
References
Bioactivity
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