[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]thiourea

Formula:C12H9N3OBrClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]thiourea is a drug-like molecule.

MolName	[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]thiourea
MolecularFormula	C12H9N3OBrClS2
Smiles	NC(N/N=C\c(o1)cc(Br)c1Sc(cc1)ccc1Cl)=S
InChI	InChI=1S/C12H9BrClN3OS2/c13-10-5-8(6-16-17-12(15)19)18-11(10)20-9-3-1-7(14)2-4-9/h1-6H,(H3,15,17,19)
InChIK	UGYUCNPOOURXPS-UHFFFAOYSA-N
TotalMolweight	390.712
Molweight	390.712
MonoisotopicMass	388.90589
CLogP	3.9704
CLogS	-5.699
H Acceptors	4
H Donors	2
TotalSurfaceArea	251.7
Relative PSA	0.38872
PolarSurfaceArea	120.94
Druglikeness	-2.5615
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.7
Fragments	1
Non HAtoms	20
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	2
StereoCon

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