N'-[6-amino-3,5-dicyano-4-(cyanomethyl)pyridin-1-ium-2-yl]-4-nitrobenzohydrazide

Formula:C16H11N8O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none N'-[6-amino-3,5-dicyano-4-(cyanomethyl)pyridin-1-ium-2-yl]-4-nitrobenzohydrazide is not a drug-like molecule.

MolName	N'-[6-amino-3,5-dicyano-4-(cyanomethyl)pyridin-1-ium-2-yl]-4-nitrobenzohydrazide
MolecularFormula	C16H11N8O3
Smiles	Nc([nH+]c(c(C#N)c1CC#N)NNC(c(cc2)ccc2[N+]([O-])=O)=O)c1C#N
InChI	InChI=1S/C16H10N8O3/c17-6-5-11-12(7-18)14(20)21-15(13(11)8-19)22-23-16(25)9-1-3-10(4-2-9)24(26)27/h1-4H,5H2,(H,23,25)(H3,20,21,22)/p+1
InChIK	HVHPTBVDIUTCKR-UHFFFAOYSA-O
TotalMolweight	363.316
Molweight	363.316
MonoisotopicMass	363.095412
CLogP	0.6769
CLogS	-5.726
H Acceptors	11
H Donors	4
TotalSurfaceArea	272.56
Relative PSA	0.44882
PolarSurfaceArea	198.48
Druglikeness	-10.861
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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1 - N'-[6-amino-3,5-dicyano-4-(cyanomethyl)pyridin-1-ium-2-yl]-4-nitrobenzohydrazide | 2 - N'-[6-amino-3,5-dicyano-4-(cyanomethyl)pyridin-1-ium-2-yl]-4-nitrobenzohydrazide

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