Molecule

ID:112847

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆S
Molecular Mass
132.26694
Exact Mass
132.09727151
Charge
0
InChI
InChI=1S/C7H16S/c1-5-6-8-7(2,3)4/h5-6H2,1-4H3
InChIKey
MTVMGLPBDYLGDV-UHFFFAOYSA-N
Canonic Smiles
CCCSC(C)(C)C
Isomeric Smiles
CCCSC(C)(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.7417576
LogD (pH = 7.4)
2.7417576
Log P
2.7417576
Molar Refractivity
42.1667
Polarizability
16.715534
Polar Surface Area
0.0
Rotatable Bonds
3
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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