Molecule

ID:34580

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃NS
Molecular Mass
167.27122
Exact Mass
167.07687042
Charge
0
InChI
InChI=1S/C9H13NS/c1-2-9(11-7-1)8-3-5-10-6-4-8/h1-2,7-8,10H,3-6H2
InChIKey
SLQVNTKKWCOXKW-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)c1cccs1
Isomeric Smiles
C1NCCC(C1)c1sccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.2252342
LogD (pH = 7.4)
-0.48673078
Log P
1.9911921
Molar Refractivity
48.4459
Polarizability
18.900667
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
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References
Bioactivity
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