(4Z)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-1-phenylpyrazolidine-3,5-dione

Formula:C18H14N2O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4Z)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-1-phenylpyrazolidine-3,5-dione is a drug-like molecule.

MolName	(4Z)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-1-phenylpyrazolidine-3,5-dione
MolecularFormula	C18H14N2O4
Smiles	O=C(/C(/C1=O)=C/c(cc2)cc3c2OCCO3)NN1c1ccccc1
InChI	InChI=1S/C18H14N2O4/c21-17-14(18(22)20(19-17)13-4-2-1-3-5-13)10-12-6-7-15-16(11-12)24-9-8-23-15/h1-7,10-11H,8-9H2,(H,19,21)
InChIK	QYVVMYCEQHLURV-UHFFFAOYSA-N
TotalMolweight	322.319
Molweight	322.319
MonoisotopicMass	322.095358
CLogP	1.3224
CLogS	-3.072
H Acceptors	6
H Donors	1
TotalSurfaceArea	235.51
Relative PSA	0.25939
PolarSurfaceArea	67.87
Druglikeness	-3.0739
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
StereoCon

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