Molecule

ID:134440

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₆B₂S₂
Molecular Mass
232.06544
Exact Mass
232.16620363
Charge
0
InChI
InChI=1S/C10H22S2.B2H4/c1-9(2,3)11-7-8-12-10(4,5)6;1-2/h7-8H2,1-6H3;1-2H2
InChIKey
HBJUXXOTEBAGOI-UHFFFAOYSA-N
Canonic Smiles
CC(SCCSC(C)(C)C)(C)C.BB
Isomeric Smiles
BB.CC(C)(C)SCCSC(C)(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.2415147
LogD (pH = 7.4)
3.2415147
Log P
3.2415147
Molar Refractivity
64.1272
Polarizability
25.304186
Polar Surface Area
0.0
Rotatable Bonds
5
Lipinski's Rule of Five
true
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