1-(2-fluorophenyl)-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]thiourea

Formula:C12H9N4O3FS Mutagenic:high Tumorigenic:high Reproductive Effective:high 1-(2-fluorophenyl)-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]thiourea is a drug-like molecule.

MolName	1-(2-fluorophenyl)-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]thiourea
MolecularFormula	C12H9N4O3FS
Smiles	[O-][N+](c1ccc(/C=N\NC(Nc(cccc2)c2F)=S)o1)=O
InChI	InChI=1S/C12H9FN4O3S/c13-9-3-1-2-4-10(9)15-12(21)16-14-7-8-5-6-11(20-8)17(18)19/h1-7H,(H2,15,16,21)
InChIK	KUUOCVWFJQALKY-UHFFFAOYSA-N
TotalMolweight	308.292
Molweight	308.292
MonoisotopicMass	308.037939
CLogP	2.3115
CLogS	-5.302
H Acceptors	7
H Donors	2
TotalSurfaceArea	233.12
Relative PSA	0.45882
PolarSurfaceArea	127.47
Druglikeness	-0.30091
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.66667
Fragments	1
Non HAtoms	21
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
AcidicOxygens	1
StereoCon

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