Molecule

ID:91121

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₃NS
Molecular Mass
203.30332
Exact Mass
203.07687042
Charge
0
InChI
InChI=1S/C12H13NS/c1-2-5-11(6-3-1)9-13-10-12-7-4-8-14-12/h1-8,13H,9-10H2
InChIKey
GEWKIDGKZRKUFB-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)CNCc1cccs1
Isomeric Smiles
s1cccc1CNCc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.2534091
LogD (pH = 7.4)
1.860171
Log P
3.1689491
Molar Refractivity
60.8085
Polarizability
23.799154
Polar Surface Area
12.03
Rotatable Bonds
4
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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