4-[(Z)-anthracen-9-ylmethylideneamino]-3-(2-fluorophenyl)-1H-1,2,4-triazole-5-thione

Formula:C23H15N4FS Mutagenic:high Tumorigenic:high Reproductive Effective:high 4-[(Z)-anthracen-9-ylmethylideneamino]-3-(2-fluorophenyl)-1H-1,2,4-triazole-5-thione is not a drug-like molecule.

MolName	4-[(Z)-anthracen-9-ylmethylideneamino]-3-(2-fluorophenyl)-1H-1,2,4-triazole-5-thione
MolecularFormula	C23H15N4FS
Smiles	Fc(cccc1)c1C(N1/N=C\c2c(cccc3)c3cc3ccccc23)=NNC1=S
InChI	InChI=1S/C23H15FN4S/c24-21-12-6-5-11-19(21)22-26-27-23(29)28(22)25-14-20-17-9-3-1-7-15(17)13-16-8-2-4-10-18(16)20/h1-14H,(H,27,29)
InChIK	QNPMZGAQKNBQAC-UHFFFAOYSA-N
TotalMolweight	398.464
Molweight	398.464
MonoisotopicMass	398.100144
CLogP	5.7846
CLogS	-7.977
H Acceptors	4
H Donors	1
TotalSurfaceArea	297.27
Relative PSA	0.22212
PolarSurfaceArea	72.08
Druglikeness	2.2515
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.44828
Fragments	1
Non HAtoms	29
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	1
Symmetricatoms	6
StereoCon

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