Molecule

ID:92589

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁NS
Molecular Mass
189.27674
Exact Mass
189.06122036
Charge
0
InChI
InChI=1S/C11H11NS/c12-8-9-3-1-4-10(7-9)11-5-2-6-13-11/h1-7H,8,12H2
InChIKey
PZXHYHVAVDOMOR-UHFFFAOYSA-N
Canonic Smiles
NCc1cccc(c1)c1cccs1
Isomeric Smiles
s1cccc1c1cccc(c1)CN
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.45481715
LogD (pH = 7.4)
0.5548093
Log P
2.5233877
Molar Refractivity
56.5575
Polarizability
23.371746
Polar Surface Area
26.02
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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