Molecule

ID:86219

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₃NS
Molecular Mass
203.30332
Exact Mass
203.07687042
Charge
0
InChI
InChI=1S/C12H13NS/c1-8-4-5-11(9(2)6-8)12-7-14-10(3)13-12/h4-7H,1-3H3
InChIKey
OVDSRZQJALIZTB-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)C)c1csc(n1)C
Isomeric Smiles
n1c(C)scc1c1c(cc(cc1)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.8145547
LogD (pH = 7.4)
3.8150158
Log P
3.8150218
Molar Refractivity
60.5537
Polarizability
24.375216
Polar Surface Area
12.89
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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