(4Z)-2-(2-fluorophenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-oxazol-5-one

Formula:C17H9N2O6F Mutagenic:none Tumorigenic:none Reproductive Effective:none (4Z)-2-(2-fluorophenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-oxazol-5-one is a drug-like molecule.

MolName	(4Z)-2-(2-fluorophenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-oxazol-5-one
MolecularFormula	C17H9N2O6F
Smiles	[O-][N+](c1c(/C=C2\N=C(c(cccc3)c3F)OC2=O)cc2OCOc2c1)=O
InChI	InChI=1S/C17H9FN2O6/c18-11-4-2-1-3-10(11)16-19-12(17(21)26-16)5-9-6-14-15(25-8-24-14)7-13(9)20(22)23/h1-7H,8H2
InChIK	FDKTXNVBJRYUEQ-UHFFFAOYSA-N
TotalMolweight	356.264
Molweight	356.264
MonoisotopicMass	356.044466
CLogP	1.8824
CLogS	-5.404
H Acceptors	8
TotalSurfaceArea	245.23
Relative PSA	0.34649
PolarSurfaceArea	102.94
Druglikeness	-5.4994
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	26
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
AcidicOxygens	1
StereoCon

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