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

Formula:C19H15N5O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2,4-dinitro-N-[(E)-[2-(1-oxidopyridin-1-ium-2-yl)-1-phenylethylidene]amino]aniline is a drug-like molecule.

MolName	2,4-dinitro-N-[(E)-[2-(1-oxidopyridin-1-ium-2-yl)-1-phenylethylidene]amino]aniline
MolecularFormula	C19H15N5O5
Smiles	[O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C(\Cc(cccc1)[n+]1[O-])/c1ccccc1)=O
InChI	InChI=1S/C19H15N5O5/c25-22-11-5-4-8-15(22)12-18(14-6-2-1-3-7-14)21-20-17-10-9-16(23(26)27)13-19(17)24(28)29/h1-11,13,20H,12H2
InChIK	IEDTZHADFSMDJN-UHFFFAOYSA-N
TotalMolweight	393.358
Molweight	393.358
MonoisotopicMass	393.10732
CLogP	2.9551
CLogS	-7.177
H Acceptors	10
H Donors	1
TotalSurfaceArea	290.36
Relative PSA	0.33775
PolarSurfaceArea	141.49
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	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	3
StereoCon

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