4-[(E)-2-(2,4-dinitrophenyl)ethenyl]morpholin-4-ium

Formula:C12H14N3O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(E)-2-(2,4-dinitrophenyl)ethenyl]morpholin-4-ium is a drug-like molecule.

MolName	4-[(E)-2-(2,4-dinitrophenyl)ethenyl]morpholin-4-ium
MolecularFormula	C12H14N3O5
Smiles	[O-][N+](c1cc([N+]([O-])=O)c(/C=C/[NH+]2CCOCC2)cc1)=O
InChI	InChI=1S/C12H13N3O5/c16-14(17)11-2-1-10(12(9-11)15(18)19)3-4-13-5-7-20-8-6-13/h1-4,9H,5-8H2/p+1
InChIK	XSZWGVFIDMJNIH-UHFFFAOYSA-O
TotalMolweight	280.259
Molweight	280.259
MonoisotopicMass	280.093347
CLogP	-1.074
CLogS	-2.816
H Acceptors	8
H Donors	1
TotalSurfaceArea	222.98
Relative PSA	0.39658
PolarSurfaceArea	105.31
Druglikeness	-8.7521
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6
Fragments	1
Non HAtoms	20
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	8
Symmetricatoms	2
BasicNitrogens	1
AcidicOxygens	2
StereoCon

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