Molecule

ID:92865

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₃NS
Molecular Mass
203.30332
Exact Mass
203.07687042
Charge
0
InChI
InChI=1S/C12H13NS/c1-13-8-10-3-2-4-11(7-10)12-5-6-14-9-12/h2-7,9,13H,8H2,1H3
InChIKey
SNXSVYZFYWVLHK-UHFFFAOYSA-N
Canonic Smiles
CNCc1cccc(c1)c1ccsc1
Isomeric Smiles
s1cc(c2cccc(c2)CNC)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.24372786
LogD (pH = 7.4)
0.643486
Log P
2.959262
Molar Refractivity
61.548
Polarizability
25.21234
Polar Surface Area
12.03
Rotatable Bonds
3
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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