(4E)-2-(1,3-benzodioxol-5-yl)-4-[[3-(2,4-dinitrophenoxy)phenyl]methylidene]-1,3-oxazol-5-one

Formula:C23H13N3O9 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4E)-2-(1,3-benzodioxol-5-yl)-4-[[3-(2,4-dinitrophenoxy)phenyl]methylidene]-1,3-oxazol-5-one is not a drug-like molecule.

MolName	(4E)-2-(1,3-benzodioxol-5-yl)-4-[[3-(2,4-dinitrophenoxy)phenyl]methylidene]-1,3-oxazol-5-one
MolecularFormula	C23H13N3O9
Smiles	[O-][N+](c(cc1)cc([N+]([O-])=O)c1Oc1cc(/C=C2/N=C(c(cc3)cc4c3OCO4)OC2=O)ccc1)=O
InChI	InChI=1S/C23H13N3O9/c27-23-17(24-22(35-23)14-4-6-20-21(10-14)33-12-32-20)9-13-2-1-3-16(8-13)34-19-7-5-15(25(28)29)11-18(19)26(30)31/h1-11H,12H2
InChIK	XIOGXVMJAYJDJN-UHFFFAOYSA-N
TotalMolweight	475.368
Molweight	475.368
MonoisotopicMass	475.065182
CLogP	2.2556
CLogS	-7.847
H Acceptors	12
TotalSurfaceArea	332.31
Relative PSA	0.37733
PolarSurfaceArea	157.99
Druglikeness	-4.1594
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.54286
Fragments	1
Non HAtoms	35
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	7
AcidicOxygens	2
StereoCon

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