TILOMISOLE

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 651G60U372

Structure

InChI Key PUYFLGQZLHVTHX-UHFFFAOYSA-N
Smiles OC(=O)Cc1sc2nc3ccccc3n2c1c4ccc(Cl)cc4
InChI
InChI=1S/C17H11ClN2O2S/c18-11-7-5-10(6-8-11)16-14(9-15(21)22)23-17-19-12-3-1-2-4-13(12)20(16)17/h1-8H,9H2,(H,21,22)

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H11Cl1N2O2S1
Molecular Weight 342.02
AlogP 4.5
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 54.6
Heavy Atoms 23.0

Cross References

Resources Reference
CAS NUMBER 58433-11-7
NORMAN SUSDAT
FDA SRS 651G60U372
CONTENTS