(5E)-5-[(4-chloro-3-nitrophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one

Formula:C10H6N3O3ClS Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-5-[(4-chloro-3-nitrophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one is a drug-like molecule.

MolName	(5E)-5-[(4-chloro-3-nitrophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
MolecularFormula	C10H6N3O3ClS
Smiles	[O-][N+](c(cc(/C=C(\C(N1)=O)/NC1=S)cc1)c1Cl)=O
InChI	InChI=1S/C10H6ClN3O3S/c11-6-2-1-5(4-8(6)14(16)17)3-7-9(15)13-10(18)12-7/h1-4H,(H2,12,13,15,18)
InChIK	ULGJLKATEIASCP-UHFFFAOYSA-N
TotalMolweight	283.695
Molweight	283.695
MonoisotopicMass	282.981839
CLogP	0.9132
CLogS	-4.016
H Acceptors	6
H Donors	2
TotalSurfaceArea	196.94
Relative PSA	0.47923
PolarSurfaceArea	119.04
Druglikeness	-2.8676
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; thio-amide/urea
Shape Index	0.55556
Fragments	1
Non HAtoms	18
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	2
Amides	1
AcidicOxygens	1
StereoCon

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