(5Z)-1-(2-fluorophenyl)-5-[[4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]-1,3-diazinane-2,4,6-trione

Formula:C22H13N4O6F Mutagenic:none Tumorigenic:none Reproductive Effective:high (5Z)-1-(2-fluorophenyl)-5-[[4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	(5Z)-1-(2-fluorophenyl)-5-[[4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormula	C22H13N4O6F
Smiles	[O-][N+](c(cc1)cnc1Oc1ccc(/C=C(/C(NC(N2c(cccc3)c3F)=O)=O)\C2=O)cc1)=O
InChI	InChI=1S/C22H13FN4O6/c23-17-3-1-2-4-18(17)26-21(29)16(20(28)25-22(26)30)11-13-5-8-15(9-6-13)33-19-10-7-14(12-24-19)27(31)32/h1-12H,(H,25,28,30)
InChIK	FLKDPUOGWPHJAL-UHFFFAOYSA-N
TotalMolweight	448.365
Molweight	448.365
MonoisotopicMass	448.081914
CLogP	2.0807
CLogS	-6.688
H Acceptors	10
H Donors	1
TotalSurfaceArea	317.78
Relative PSA	0.33205
PolarSurfaceArea	134.42
Druglikeness	-1.6901
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.57576
Fragments	1
Non HAtoms	33
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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1 - (5Z)-1-(2-fluorophenyl)-5-[[4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]-1,3-diazinane-2,4,6-trione | 2 - (5Z)-1-(2-fluorophenyl)-5-[[4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]-1,3-diazinane-2,4,6-trione

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