1-(3-fluorophenyl)-3-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]thiourea

Formula:C18H13N4O3FS Mutagenic:high Tumorigenic:high Reproductive Effective:high 1-(3-fluorophenyl)-3-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]thiourea is a drug-like molecule.

MolName	1-(3-fluorophenyl)-3-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]thiourea
MolecularFormula	C18H13N4O3FS
Smiles	[O-][N+](c(cc1)ccc1-c1ccc(/C=N\NC(Nc2cc(F)ccc2)=S)o1)=O
InChI	InChI=1S/C18H13FN4O3S/c19-13-2-1-3-14(10-13)21-18(27)22-20-11-16-8-9-17(26-16)12-4-6-15(7-5-12)23(24)25/h1-11H,(H2,21,22,27)
InChIK	XWYHGSPVUGDYGI-UHFFFAOYSA-N
TotalMolweight	384.39
Molweight	384.39
MonoisotopicMass	384.069239
CLogP	3.7103
CLogS	-6.555
H Acceptors	7
H Donors	2
TotalSurfaceArea	292.88
Relative PSA	0.3652
PolarSurfaceArea	127.47
Druglikeness	-1.9705
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	27
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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