Molecule

ID:52019

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁NS
Molecular Mass
177.26604
Exact Mass
177.06122036
Charge
0
InChI
InChI=1S/C10H11NS/c1-7-4-9(3)10(11-6-12)5-8(7)2/h4-5H,1-3H3
InChIKey
STZONCTUVBZNCF-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1cc(C)c(cc1C)C
Isomeric Smiles
c1(c(cc(c(c1)C)C)C)N=C=S
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.535332
LogD (pH = 7.4)
4.535335
Log P
4.535335
Molar Refractivity
58.2445
Polarizability
21.359938
Polar Surface Area
12.36
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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