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

Formula:C17H9NO4ClF Mutagenic:none Tumorigenic:high Reproductive Effective:none (4Z)-4-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one is a drug-like molecule.

MolName	(4Z)-4-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one
MolecularFormula	C17H9NO4ClF
Smiles	O=C1OC(c(cc2)ccc2F)=N/C1=C\c(cc1OCOc1c1)c1Cl
InChI	InChI=1S/C17H9ClFNO4/c18-12-7-15-14(22-8-23-15)6-10(12)5-13-17(21)24-16(20-13)9-1-3-11(19)4-2-9/h1-7H,8H2
InChIK	PIWCSXUAWHDFLW-UHFFFAOYSA-N
TotalMolweight	345.712
Molweight	345.712
MonoisotopicMass	345.020414
CLogP	3.41
CLogS	-5.68
H Acceptors	5
TotalSurfaceArea	236.98
Relative PSA	0.23019
PolarSurfaceArea	57.12
Druglikeness	-0.40617
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
StereoCon

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