REZATOMIDINE

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Synonyms
Status
Molecule Category Free-form
UNII W5LMZ0RC8I
EPA CompTox DTXSID00233811

Structure

InChI Key WQXVKEDUCPMRRI-JTQLQIEISA-N
Smiles Cc1cccc([C@H](C)c2c[nH]c(=S)[nH]2)c1C
InChI
InChI=1S/C13H16N2S/c1-8-5-4-6-11(9(8)2)10(3)12-7-14-13(16)15-12/h4-7,10H,1-3H3,(H2,14,15,16)/t10-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H16N2S
Molecular Weight 232.35
AlogP 3.84
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 31.58
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 16.0

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL2107366
DrugBank DB12143
FDA SRS W5LMZ0RC8I
PubChem 11287722
SureChEMBL SCHEMBL676215
CONTENTS