Molecule

ID:107105

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆S
Molecular Mass
132.26694
Exact Mass
132.09727151
Charge
0
InChI
InChI=1S/C7H16S/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3
InChIKey
VPIAKHNXCOTPAY-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCS
Isomeric Smiles
CCCCCCCS
Calculated Properties
JChem
Acid pKa
10.200824
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
3.3903892
LogD (pH = 7.4)
3.3897603
Log P
3.3903973
Molar Refractivity
41.9665
Polarizability
16.707783
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
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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