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

Formula:C21H13N3O5 Mutagenic:none Tumorigenic:high Reproductive Effective:high (5E)-5-(naphthalen-1-ylmethylidene)-1-(4-nitrophenyl)-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	(5E)-5-(naphthalen-1-ylmethylidene)-1-(4-nitrophenyl)-1,3-diazinane-2,4,6-trione
MolecularFormula	C21H13N3O5
Smiles	[O-][N+](c(cc1)ccc1N(C(/C(/C(N1)=O)=C/c2cccc3ccccc23)=O)C1=O)=O
InChI	InChI=1S/C21H13N3O5/c25-19-18(12-14-6-3-5-13-4-1-2-7-17(13)14)20(26)23(21(27)22-19)15-8-10-16(11-9-15)24(28)29/h1-12H,(H,22,25,27)
InChIK	AOTOFOIOGBGRBP-UHFFFAOYSA-N
TotalMolweight	387.35
Molweight	387.35
MonoisotopicMass	387.085522
CLogP	2.4282
CLogS	-5.953
H Acceptors	8
H Donors	1
TotalSurfaceArea	277.51
Relative PSA	0.30467
PolarSurfaceArea	112.3
Druglikeness	-0.34116
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	1
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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