Molecule

ID:101176

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁NS
Molecular Mass
141.23394
Exact Mass
141.06122036
Charge
0
InChI
InChI=1S/C7H11NS/c1-6-3-7(4-8-2)9-5-6/h3,5,8H,4H2,1-2H3
InChIKey
JICZWIQRPDVYNI-UHFFFAOYSA-N
Canonic Smiles
CNCc1scc(c1)C
Isomeric Smiles
s1c(cc(c1)C)CNC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.1841047
LogD (pH = 7.4)
0.044967093
Log P
1.9578974
Molar Refractivity
41.2371
Polarizability
15.941367
Polar Surface Area
12.03
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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