2-HYDRAZINO-4-(4-NITROPHENYL)THIAZOLE

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

Structure

InChI Key ZOJPXCPZDSRIKP-UHFFFAOYSA-N
Smiles NNC1=NC(=CS1)C1=CC=C(C=C1)[N+]([O-])=O
InChI
InChI=1S/C9H8N4O2S/c10-12-9-11-8(5-16-9)6-1-3-7(4-2-6)13(14)15/h1-5H,10H2,(H,11,12)

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H8N4O2S1
Molecular Weight 236.04
AlogP 2.0
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 94.08
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 26049-70-7
NORMAN SUSDAT
CONTENTS