2,4-dinitro-N-[(E)-[2-(1-oxidopyridin-1-ium-2-yl)-1-pyridin-3-ylethylidene]amino]aniline

Formula:C18H14N6O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2,4-dinitro-N-[(E)-[2-(1-oxidopyridin-1-ium-2-yl)-1-pyridin-3-ylethylidene]amino]aniline is not a drug-like molecule.

MolName	2,4-dinitro-N-[(E)-[2-(1-oxidopyridin-1-ium-2-yl)-1-pyridin-3-ylethylidene]amino]aniline
MolecularFormula	C18H14N6O5
Smiles	[O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C(\Cc(cccc1)[n+]1[O-])/c1cnccc1)=O
InChI	InChI=1S/C18H14N6O5/c25-22-9-2-1-5-14(22)10-17(13-4-3-8-19-12-13)21-20-16-7-6-15(23(26)27)11-18(16)24(28)29/h1-9,11-12,20H,10H2
InChIK	HMPJJAFQHAQZRA-UHFFFAOYSA-N
TotalMolweight	394.346
Molweight	394.346
MonoisotopicMass	394.102569
CLogP	1.9542
CLogS	-6.382
H Acceptors	11
H Donors	1
TotalSurfaceArea	289.12
Relative PSA	0.37714
PolarSurfaceArea	154.38
Druglikeness	-3.9632
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.48276
Fragments	1
Non HAtoms	29
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Aromatic Nitrogens	2
AcidicOxygens	3
StereoCon

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