Molecule

ID:18264

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃NOS
Molecular Mass
207.29202
Exact Mass
207.07178504
Charge
0
InChI
InChI=1S/C11H13NOS/c1-9-4-5-11(14-9)8-12-7-10-3-2-6-13-10/h2-6,12H,7-8H2,1H3
InChIKey
OWAJYOFWSDNJDT-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(s1)CNCc1ccco1
Isomeric Smiles
s1c(ccc1C)CNCc1occc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.7903182
LogD (pH = 7.4)
2.4553196
Log P
2.8750565
Molar Refractivity
58.2557
Polarizability
22.401495
Polar Surface Area
25.17
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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