Molecule

ID:44305

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁NS
Molecular Mass
165.25534
Exact Mass
165.06122036
Charge
0
InChI
InChI=1S/C9H11NS/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-5,9-10H,6-7H2
InChIKey
NXOMVTLTYYYYPC-UHFFFAOYSA-N
Canonic Smiles
C1CSC(N1)c1ccccc1
Isomeric Smiles
C1(NCCS1)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.31629118
LogD (pH = 7.4)
1.414983
Log P
2.0902781
Molar Refractivity
49.4415
Polarizability
19.744349
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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