(5Z)-1-(2-fluorophenyl)-5-[[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Formula:C24H13N3O5F4S Mutagenic:high Tumorigenic:none Reproductive Effective:high (5Z)-1-(2-fluorophenyl)-5-[[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is not a drug-like molecule.

MolName	(5Z)-1-(2-fluorophenyl)-5-[[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
MolecularFormula	C24H13N3O5F4S
Smiles	[O-][N+](c(cc(C(F)(F)F)cc1)c1Oc1ccc(/C=C(/C(NC(N2c(cccc3)c3F)=S)=O)\C2=O)cc1)=O
InChI	InChI=1S/C24H13F4N3O5S/c25-17-3-1-2-4-18(17)30-22(33)16(21(32)29-23(30)37)11-13-5-8-15(9-6-13)36-20-10-7-14(24(26,27)28)12-19(20)31(34)35/h1-12H,(H,29,32,37)
InChIK	OMNYSVUSVNRMPZ-UHFFFAOYSA-N
TotalMolweight	531.441
Molweight	531.441
MonoisotopicMass	531.051204
CLogP	3.939
CLogS	-7.82
H Acceptors	8
H Donors	1
TotalSurfaceArea	363.44
Relative PSA	0.30132
PolarSurfaceArea	136.55
Druglikeness	-8.635
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro; thio-amide/urea
Shape Index	0.51351
Fragments	1
Non HAtoms	37
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon

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1 - (5Z)-1-(2-fluorophenyl)-5-[[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione | 2 - (5Z)-1-(2-fluorophenyl)-5-[[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

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