N-[(E)-[1-naphthalen-2-yl-2-(1-oxidopyridin-1-ium-2-yl)ethylidene]amino]-2,4-dinitroaniline

Formula:C23H17N5O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-[1-naphthalen-2-yl-2-(1-oxidopyridin-1-ium-2-yl)ethylidene]amino]-2,4-dinitroaniline is a drug-like molecule.

MolName	N-[(E)-[1-naphthalen-2-yl-2-(1-oxidopyridin-1-ium-2-yl)ethylidene]amino]-2,4-dinitroaniline
MolecularFormula	C23H17N5O5
Smiles	[O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C(\Cc(cccc1)[n+]1[O-])/c1cc2ccccc2cc1)=O
InChI	InChI=1S/C23H17N5O5/c29-26-12-4-3-7-19(26)14-22(18-9-8-16-5-1-2-6-17(16)13-18)25-24-21-11-10-20(27(30)31)15-23(21)28(32)33/h1-13,15,24H,14H2
InChIK	JUAJABBBQUOYRA-UHFFFAOYSA-N
TotalMolweight	443.418
Molweight	443.418
MonoisotopicMass	443.12297
CLogP	4.1495
CLogS	-8.783
H Acceptors	10
H Donors	1
TotalSurfaceArea	324.96
Relative PSA	0.30179
PolarSurfaceArea	141.49
Druglikeness	-3.9632
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.45455
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	4
Aromatic Nitrogens	1
AcidicOxygens	3
StereoCon

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1 - N-[(E)-[1-naphthalen-2-yl-2-(1-oxidopyridin-1-ium-2-yl)ethylidene]amino]-2,4-dinitroaniline | 2 - N-[(E)-[1-naphthalen-2-yl-2-(1-oxidopyridin-1-ium-2-yl)ethylidene]amino]-2,4-dinitroaniline

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