(2E,4E)-5-(2,4-dinitroanilino)penta-2,4-dienal

Formula:C11H9N3O5 Mutagenic:low Tumorigenic:high Reproductive Effective:none (2E,4E)-5-(2,4-dinitroanilino)penta-2,4-dienal is a drug-like molecule.

MolName	(2E,4E)-5-(2,4-dinitroanilino)penta-2,4-dienal
MolecularFormula	C11H9N3O5
Smiles	[O-][N+](c(cc1)cc([N+]([O-])=O)c1N/C=C/C=C/C=O)=O
InChI	InChI=1S/C11H9N3O5/c15-7-3-1-2-6-12-10-5-4-9(13(16)17)8-11(10)14(18)19/h1-8,12H
InChIK	BKAXRHZDPTUAIN-UHFFFAOYSA-N
TotalMolweight	263.208
Molweight	263.208
MonoisotopicMass	263.054222
CLogP	-0.4047
CLogS	-3.41
H Acceptors	8
H Donors	1
TotalSurfaceArea	204.6
Relative PSA	0.41711
PolarSurfaceArea	120.74
Druglikeness	-9.2676
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	low
Nasty Functions	aromatic nitro
Shape Index	0.68421
Fragments	1
Non HAtoms	19
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	2
AcidicOxygens	2
StereoCon

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