4-[(Z)-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione

Formula:C22H15N6ClS2 Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-[(Z)-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	4-[(Z)-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
MolecularFormula	C22H15N6ClS2
Smiles	S=C(NN=C1c2cccs2)N1/N=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1Cl
InChI	InChI=1S/C22H15ClN6S2/c23-17-10-8-15(9-11-17)20-16(14-28(27-20)18-5-2-1-3-6-18)13-24-29-21(25-26-22(29)30)19-7-4-12-31-19/h1-14H,(H,26,30)
InChIK	MTGUYTRWFBBULD-UHFFFAOYSA-N
TotalMolweight	462.988
Molweight	462.988
MonoisotopicMass	462.048811
CLogP	4.6866
CLogS	-6.71
H Acceptors	6
H Donors	1
TotalSurfaceArea	340.56
Relative PSA	0.30605
PolarSurfaceArea	118.14
Druglikeness	5.6965
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.45161
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	1
Symmetricatoms	4
Aromatic Nitrogens	2
StereoCon

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