Molecule

ID:4237

General Information
Structure
MolImage
Molecular Formula
C₂₂H₃₈O₅
Molecular Mass
382.53412
Exact Mass
382.27192432
Charge
0
InChI
InChI=1S/C22H38O5/c1-21(2,3)18-22(4,5)19-6-8-20(9-7-19)27-17-16-26-15-14-25-13-12-24-11-10-23/h6-9,23H,10-18H2,1-5H3
InChIKey
UYDLBVPAAFVANX-UHFFFAOYSA-N
Canonic Smiles
OCCOCCOCCOCCOc1ccc(cc1)C(CC(C)(C)C)(C)C
Isomeric Smiles
CC(C)(C)CC(C)(C)c1ccc(OCCOCCOCCOCCO)cc1
Calculated Properties
JChem
Acid pKa
15.121156
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
4.005806
LogD (pH = 7.4)
4.005806
Log P
4.005806
Molar Refractivity
108.8356
Polarizability
43.08517
Polar Surface Area
57.15
Rotatable Bonds
15
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
4.16
LOG S
-5.2
Solubility (Water)
2.39e-03 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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