Molecule

ID:112065

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀S
Molecular Mass
126.2193
Exact Mass
126.05032132
Charge
0
InChI
InChI=1S/C7H10S/c1-2-4-7-5-3-6-8-7/h3,5-6H,2,4H2,1H3
InChIKey
BTXIJTYYMLCUHI-UHFFFAOYSA-N
Canonic Smiles
CCCc1cccs1
Isomeric Smiles
CCCc1cccs1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.2886858
LogD (pH = 7.4)
3.2886858
Log P
3.2886858
Molar Refractivity
37.3451
Polarizability
14.420101
Polar Surface Area
0.0
Rotatable Bonds
2
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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