Molecule

ID:136205

General Information
Structure
MolImage
Molecular Formula
C₁₇H₃₂O₂S₃
Molecular Mass
364.62978
Exact Mass
364.15644326
Charge
0
InChI
InChI=1S/C17H32O2S3/c1-4-5-6-7-8-9-10-11-12-13-14-21-16(20)22-17(2,3)15(18)19/h4-14H2,1-3H3,(H,18,19)
InChIKey
DZFGVGDQHQHOKZ-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCSC(=S)SC(C(=O)O)(C)C
Isomeric Smiles
CCCCCCCCCCCCSC(=S)SC(C)(C)C(=O)O
Calculated Properties
JChem
Acid pKa
4.3240514
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
6.683752
LogD (pH = 7.4)
4.9404655
Log P
7.885818
Molar Refractivity
105.7889
Polarizability
42.18811
Polar Surface Area
37.3
Rotatable Bonds
15
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation