Molecule

ID:107331

General Information
Structure
Molecular Formula
C₂₃H₃₀O₅
Molecular Mass
386.4813
Exact Mass
386.20932406
Charge
0
InChI
InChI=1S/C23H30O5/c1-13(24)27-12-19(26)23-20(28-23)11-18-16-5-4-14-10-15(25)6-8-21(14,2)17(16)7-9-22(18,23)3/h10,16-18,20H,4-9,11-12H2,1-3H3/t16-,17+,18+,20-,21+,22+,23-/m1/s1
InChIKey
QZHWBQCNOKNTPO-UIHBBMEUSA-N
Canonic Smiles
CC(=O)OCC(=O)[C@@]12O[C@@H]1C[C@@H]1[C@]2(C)CC[C@H]2[C@H]1CCC1=CC(=O)CC[C@]21C
Isomeric Smiles
CC(=O)OCC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]21C
Calculated Properties
JChem
Acid pKa
15.379618
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.1118567
LogD (pH = 7.4)
3.1118567
Log P
3.1118567
Molar Refractivity
102.8104
Polarizability
40.83397
Polar Surface Area
72.97
Rotatable Bonds
4
Lipinski's Rule of Five
true
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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