Molecule

ID:28614

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁NS
Molecular Mass
165.25534
Exact Mass
165.06122036
Charge
0
InChI
InChI=1S/C9H11NS/c1-2-5-9-8(4-1)10-6-3-7-11-9/h1-2,4-5,10H,3,6-7H2
InChIKey
XSLBWZNMWUEVMS-UHFFFAOYSA-N
Canonic Smiles
C1CSc2c(NC1)cccc2
Isomeric Smiles
N1c2c(SCCC1)cccc2
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.8307827
LogD (pH = 7.4)
1.8585323
Log P
1.8588979
Molar Refractivity
51.9563
Polarizability
19.323154
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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