1-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-3-(4-fluorophenyl)thiourea

Formula:C14H10N4O2ClFS Mutagenic:high Tumorigenic:none Reproductive Effective:high 1-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-3-(4-fluorophenyl)thiourea is a drug-like molecule.

MolName	1-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-3-(4-fluorophenyl)thiourea
MolecularFormula	C14H10N4O2ClFS
Smiles	[O-][N+](c(cc(/C=N\NC(Nc(cc1)ccc1F)=S)cc1)c1Cl)=O
InChI	InChI=1S/C14H10ClFN4O2S/c15-12-6-1-9(7-13(12)20(21)22)8-17-19-14(23)18-11-4-2-10(16)3-5-11/h1-8H,(H2,18,19,23)
InChIK	XTDGICKUDBZVCK-UHFFFAOYSA-N
TotalMolweight	352.776
Molweight	352.776
MonoisotopicMass	352.019701
CLogP	3.3774
CLogS	-5.831
H Acceptors	6
H Donors	2
TotalSurfaceArea	258.85
Relative PSA	0.3587
PolarSurfaceArea	114.33
Druglikeness	-4.3153
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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