Molecule

ID:76904

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₃NS
Molecular Mass
203.30332
Exact Mass
203.07687042
Charge
0
InChI
InChI=1S/C12H13NS/c1-13-9-10-4-6-11(7-5-10)12-3-2-8-14-12/h2-8,13H,9H2,1H3
InChIKey
DRDAOZOONYPMPX-UHFFFAOYSA-N
Canonic Smiles
CNCc1ccc(cc1)c1cccs1
Isomeric Smiles
s1cccc1c1ccc(cc1)CNC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.2262042
LogD (pH = 7.4)
0.81635195
Log P
2.9559681
Molar Refractivity
61.3321
Polarizability
25.218376
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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