1,1'-METHYLENEBIS(4-((HYDROXYIMINO)METHYL)-PYRIDINIUM)

Search structure


Status:	Phase 1
Entry Type:	Small molecule
Molecule Category:	UNKNOWN

Structure


InChI Key	CMMIGIRGSXYBDN-UHFFFAOYSA-P
Smile	O/N=C/c1cc[n+](C[n+]2ccc(/C=N/O)cc2)cc1
InChI	InChI=1S/C13H12N4O2/c18-14-9-12-1-5-16(6-2-12)11-17-7-3-13(4-8-17)10-15-19/h1-10H,11H2/p+2

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C13H14N4O2+2
Molecular Weight	258.28
AlogP	0.38
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	4.0
Polar Surface Area	72.94
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	19.0

Cross References

Resources	Reference
ChEMBL	CHEMBL1181952
EPA CompTox	DTXSID00210389
SureChEMBL	SCHEMBL1246704
ZINC	ZINC000005567226

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