Molecule

ID:91051

General Information
Structure
MolImage
Molecular Formula
C₁₇H₃₃IO₂
Molecular Mass
396.34719
Exact Mass
396.1525283
Charge
0
InChI
InChI=1S/C17H33IO2/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17(19)20/h1-16H2,(H,19,20)
InChIKey
UBQLJCFBCITRNR-UHFFFAOYSA-N
Canonic Smiles
ICCCCCCCCCCCCCCCCC(=O)O
Isomeric Smiles
OC(=O)CCCCCCCCCCCCCCCCI
Calculated Properties
JChem
Acid pKa
4.9520197
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
6.5790324
LogD (pH = 7.4)
4.819897
Log P
7.2348375
Molar Refractivity
94.8965
Polarizability
37.413456
Polar Surface Area
37.3
Rotatable Bonds
16
Lipinski's Rule of Five
false
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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