Molecule

ID:19072

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁NS
Molecular Mass
153.24464
Exact Mass
153.06122036
Charge
0
InChI
InChI=1S/C8H11NS/c1-3-7(9-5-1)8-4-2-6-10-8/h2,4,6-7,9H,1,3,5H2
InChIKey
BNUVOMNEUJWHCF-UHFFFAOYSA-N
Canonic Smiles
C1CNC(C1)c1cccs1
Isomeric Smiles
c1(sccc1)C1NCCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.3166687
LogD (pH = 7.4)
-0.7469749
Log P
1.9100405
Molar Refractivity
43.4071
Polarizability
17.13796
Polar Surface Area
12.03
Rotatable Bonds
1
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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