(5E)-1-(2,4-dichlorophenyl)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione

Formula:C17H9N3O6Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-1-(2,4-dichlorophenyl)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	(5E)-1-(2,4-dichlorophenyl)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormula	C17H9N3O6Cl2
Smiles	[O-][N+](c(cc(/C=C(\C(NC(N1c(ccc(Cl)c2)c2Cl)=O)=O)/C1=O)cc1)c1O)=O
InChI	InChI=1S/C17H9Cl2N3O6/c18-9-2-3-12(11(19)7-9)21-16(25)10(15(24)20-17(21)26)5-8-1-4-14(23)13(6-8)22(27)28/h1-7,23H,(H,20,24,26)
InChIK	KIQHFPAWMHIIRM-UHFFFAOYSA-N
TotalMolweight	422.179
Molweight	422.179
MonoisotopicMass	420.986841
CLogP	2.1001
CLogS	-5.523
H Acceptors	9
H Donors	2
TotalSurfaceArea	280.1
Relative PSA	0.34863
PolarSurfaceArea	132.53
Druglikeness	-0.26632
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	low
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	28
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Amides	2
AcidicOxygens	1
StereoCon

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1 - (5E)-1-(2,4-dichlorophenyl)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione | 2 - (5E)-1-(2,4-dichlorophenyl)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione

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