Molecule

ID:104861

General Information
Structure
MolImage
Molecular Formula
C₁₆H₃₂O₃
Molecular Mass
272.42348
Exact Mass
272.23514488
Charge
0
InChI
InChI=1S/C16H32O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h17H,1-15H2,(H,18,19)
InChIKey
UGAGPNKCDRTDHP-UHFFFAOYSA-N
Canonic Smiles
OCCCCCCCCCCCCCCCC(=O)O
Isomeric Smiles
OCCCCCCCCCCCCCCCC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
2.40
LogD (pH = 5.5)
4.16
Log P
4.82
Rotatable Bonds
15
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
4.95
Polar Surface Area
57.53
Polarizability
35.38
Molar Refractivity
79.01
LOG S
-4.96
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
Molecule Details
References
Bioactivity
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