Molecule

ID:130686

General Information
Structure
MolImage
Molecular Formula
C₂₅H₃₈O₃
Molecular Mass
386.56742
Exact Mass
386.28209508
Charge
0
InChI
InChI=1S/C25H38O3/c1-16(2)5-10-23(27)28-22-9-8-20-19-7-6-17-15-18(26)11-13-24(17,3)21(19)12-14-25(20,22)4/h15-16,19-22H,5-14H2,1-4H3/t19-,20-,21-,22-,24-,25-/m0/s1
InChIKey
PPYHLSBUTAPNGT-BKWLFHPQSA-N
Canonic Smiles
CC(CCC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C
Isomeric Smiles
CC(C)CCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C
Calculated Properties
JChem
Acid pKa
19.086855
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.683241
LogD (pH = 7.4)
5.683241
Log P
5.683241
Molar Refractivity
111.9588
Polarizability
44.455315
Polar Surface Area
43.37
Rotatable Bonds
5
Lipinski's Rule of Five
false
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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