Molecule

ID:118948

General Information
Structure
MolImage
Molecular Formula
C₁₆H₃₂O₅
Molecular Mass
304.42228
Exact Mass
304.22497412
Charge
0
InChI
InChI=1S/C16H32O5/c17-13-9-5-4-7-11-15(19)14(18)10-6-2-1-3-8-12-16(20)21/h14-15,17-19H,1-13H2,(H,20,21)/t14-,15+/m1/s1
InChIKey
MEHUJCGAYMDLEL-CABCVRRESA-N
Canonic Smiles
OCCCCCC[C@@H]([C@@H](CCCCCCCC(=O)O)O)O
Isomeric Smiles
C(=O)(O)CCCCCCC[C@H]([C@@H](O)CCCCCCO)O
Calculated Properties
JChem
Acid pKa
4.6153255
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
1.4213526
LogD (pH = 7.4)
-0.3552332
Log P
2.358282
Molar Refractivity
82.0433
Polarizability
32.598763
Polar Surface Area
97.99
Rotatable Bonds
15
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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