Molecule

ID:18254

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₃NS
Molecular Mass
203.30332
Exact Mass
203.07687042
Charge
0
InChI
InChI=1S/C12H13NS/c1-9-4-6-10(7-5-9)12(13)11-3-2-8-14-11/h2-8,12H,13H2,1H3
InChIKey
CFTDRQBJPRGTHP-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)C(c1cccs1)N
Isomeric Smiles
c1(sccc1)C(c1ccc(cc1)C)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.5671118
LogD (pH = 7.4)
2.1324584
Log P
3.3095572
Molar Refractivity
60.7453
Polarizability
23.71778
Polar Surface Area
26.02
Rotatable Bonds
2
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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