[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2,4-bis(sulfanylidene)imidazolidin-1-yl]-(4-nitrophenyl)methanone

Formula:C18H11N3O5S2 Mutagenic:none Tumorigenic:none Reproductive Effective:high [(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2,4-bis(sulfanylidene)imidazolidin-1-yl]-(4-nitrophenyl)methanone is a drug-like molecule.

MolName	[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2,4-bis(sulfanylidene)imidazolidin-1-yl]-(4-nitrophenyl)methanone
MolecularFormula	C18H11N3O5S2
Smiles	[O-][N+](c(cc1)ccc1C(N(/C(/C(N1)=S)=C/c(cc2)cc3c2OCO3)C1=S)=O)=O
InChI	InChI=1S/C18H11N3O5S2/c22-17(11-2-4-12(5-3-11)21(23)24)20-13(16(27)19-18(20)28)7-10-1-6-14-15(8-10)26-9-25-14/h1-8H,9H2,(H,19,27,28)
InChIK	BEGJYVVEHSYMOB-UHFFFAOYSA-N
TotalMolweight	413.433
Molweight	413.433
MonoisotopicMass	413.014012
CLogP	2.3914
CLogS	-6.018
H Acceptors	8
H Donors	1
TotalSurfaceArea	293.09
Relative PSA	0.4588
PolarSurfaceArea	160.8
Druglikeness	-3.1026
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; thio-amide/urea
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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