(4E)-4-[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]-3-methylidene-5-oxopyrazolidine-1-carbothioamide

Formula:C12H9N5OClF3S Mutagenic:none Tumorigenic:none Reproductive Effective:high (4E)-4-[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]-3-methylidene-5-oxopyrazolidine-1-carbothioamide is a drug-like molecule.

MolName	(4E)-4-[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]-3-methylidene-5-oxopyrazolidine-1-carbothioamide
MolecularFormula	C12H9N5OClF3S
Smiles	C=C(/C1=N\Nc(cc(C(F)(F)F)cc2)c2Cl)NN(C(N)=S)C1=O
InChI	InChI=1S/C12H9ClF3N5OS/c1-5-9(10(22)21(20-5)11(17)23)19-18-8-4-6(12(14,15)16)2-3-7(8)13/h2-4,18,20H,1H2,(H2,17,23)
InChIK	GQWCAEIIBAVSAM-UHFFFAOYSA-N
TotalMolweight	363.75
Molweight	363.75
MonoisotopicMass	363.016841
CLogP	2.517
CLogS	-3.95
H Acceptors	6
H Donors	3
TotalSurfaceArea	242.56
Relative PSA	0.38873
PolarSurfaceArea	114.84
Druglikeness	-5.6424
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Nasty Functions	thio-amide/urea
Shape Index	0.52174
Fragments	1
Non HAtoms	23
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	3
Symmetricatoms	2
StereoCon

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