(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-1-(4-nitrophenyl)-1,3-diazinane-2,4,6-trione

Formula:C18H11N3O7 Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-1-(4-nitrophenyl)-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-1-(4-nitrophenyl)-1,3-diazinane-2,4,6-trione
MolecularFormula	C18H11N3O7
Smiles	[O-][N+](c(cc1)ccc1N(C(/C(/C(N1)=O)=C/c(cc2)cc3c2OCO3)=O)C1=O)=O
InChI	InChI=1S/C18H11N3O7/c22-16-13(7-10-1-6-14-15(8-10)28-9-27-14)17(23)20(18(24)19-16)11-2-4-12(5-3-11)21(25)26/h1-8H,9H2,(H,19,22,24)
InChIK	PZJKWYGGAJKWSI-UHFFFAOYSA-N
TotalMolweight	381.299
Molweight	381.299
MonoisotopicMass	381.059702
CLogP	1.3452
CLogS	-5.058
H Acceptors	10
H Donors	1
TotalSurfaceArea	263.17
Relative PSA	0.39727
PolarSurfaceArea	130.76
Druglikeness	-0.36589
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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