Molecule
ID:112845
General Information
Molecular Formula
C₇H₁₆S
Molecular Mass
132.26694
Exact Mass
132.09727151
Charge
0
InChI
InChI=1S/C7H16S/c1-4-6-8-7(3)5-2/h7H,4-6H2,1-3H3
InChIKey
ZGVPENKHDNEGTK-UHFFFAOYSA-N
Canonic Smiles
CCCSC(CC)C
Isomeric Smiles
CCCSC(C)CC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.0874813
LogD (pH = 7.4)
3.0874813
Log P
3.0874813
Molar Refractivity
42.0033
Polarizability
16.714588
Polar Surface Area
0.0
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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