Molecule

ID:101295

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁NOS
Molecular Mass
193.26544
Exact Mass
193.05613498
Charge
0
InChI
InChI=1S/C10H11NOS/c1-11-7-8-4-5-10(13-8)9-3-2-6-12-9/h2-6,11H,7H2,1H3
InChIKey
REBAUXOPYFOJIE-UHFFFAOYSA-N
Canonic Smiles
CNCc1ccc(s1)c1ccco1
Isomeric Smiles
c1(sc(cc1)CNC)c1occc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.95588225
LogD (pH = 7.4)
0.38512492
Log P
2.1486542
Molar Refractivity
53.5071
Polarizability
22.026997
Polar Surface Area
25.17
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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