(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-1-(3-fluorophenyl)-1,3-diazinane-2,4,6-trione

Formula:C19H13N2O5F Mutagenic:none Tumorigenic:none Reproductive Effective:high (5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-1-(3-fluorophenyl)-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-1-(3-fluorophenyl)-1,3-diazinane-2,4,6-trione
MolecularFormula	C19H13N2O5F
Smiles	O=C(/C(/C(N1c2cccc(F)c2)=O)=C/c(cc2)cc3c2OCCO3)NC1=O
InChI	InChI=1S/C19H13FN2O5/c20-12-2-1-3-13(10-12)22-18(24)14(17(23)21-19(22)25)8-11-4-5-15-16(9-11)27-7-6-26-15/h1-5,8-10H,6-7H2,(H,21,23,25)
InChIK	KQTGYDMUIYBKPO-UHFFFAOYSA-N
TotalMolweight	368.319
Molweight	368.319
MonoisotopicMass	368.080851
CLogP	2.235
CLogS	-4.383
H Acceptors	7
H Donors	1
TotalSurfaceArea	259.61
Relative PSA	0.28554
PolarSurfaceArea	84.94
Druglikeness	-3.7027
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Amides	2
StereoCon

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1 - (5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-1-(3-fluorophenyl)-1,3-diazinane-2,4,6-trione | 2 - (5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-1-(3-fluorophenyl)-1,3-diazinane-2,4,6-trione

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