Molecule

ID:40182

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁NS
Molecular Mass
153.24464
Exact Mass
153.06122036
Charge
0
InChI
InChI=1S/C8H11NS/c1-6-7-3-5-10-8(7)2-4-9-6/h3,5-6,9H,2,4H2,1H3
InChIKey
IKTLCKCXJUXCSP-UHFFFAOYSA-N
Canonic Smiles
CC1NCCc2c1ccs2
Isomeric Smiles
c12c(scc1)CCNC2C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.1717463
LogD (pH = 7.4)
0.2396437
Log P
1.9009396
Molar Refractivity
44.0347
Polarizability
17.054207
Polar Surface Area
12.03
Rotatable Bonds
0
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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