3-(5-methyl-1H-pyrazol-3-yl)-4-[[4-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione

Formula:C14H11N6F3S Mutagenic:high Tumorigenic:high Reproductive Effective:high 3-(5-methyl-1H-pyrazol-3-yl)-4-[[4-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	3-(5-methyl-1H-pyrazol-3-yl)-4-[[4-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione
MolecularFormula	C14H11N6F3S
Smiles	Cc1cc(C(N2N=Cc3ccc(C(F)(F)F)cc3)=NNC2=S)n[nH]1
InChI	InChI=1S/C14H11F3N6S/c1-8-6-11(20-19-8)12-21-22-13(24)23(12)18-7-9-2-4-10(5-3-9)14(15,16)17/h2-7H,1H3,(H,19,20)(H,22,24)
InChIK	NHVROELRFKHAOZ-UHFFFAOYSA-N
TotalMolweight	352.343
Molweight	352.343
MonoisotopicMass	352.071798
CLogP	2.4888
CLogS	-4.194
H Acceptors	6
H Donors	2
TotalSurfaceArea	251.77
Relative PSA	0.3614
PolarSurfaceArea	100.76
Druglikeness	-3.2463
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Symmetricatoms	4
Aromatic Nitrogens	2
StereoCon

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