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

Formula:C23H16N8O2S Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-[(Z)-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	4-[(Z)-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
MolecularFormula	C23H16N8O2S
Smiles	[O-][N+](c(cc1)ccc1-c(c(/C=N\N(C(c1ccncc1)=NN1)C1=S)c1)nn1-c1ccccc1)=O
InChI	InChI=1S/C23H16N8O2S/c32-31(33)20-8-6-16(7-9-20)21-18(15-29(28-21)19-4-2-1-3-5-19)14-25-30-22(26-27-23(30)34)17-10-12-24-13-11-17/h1-15H,(H,27,34)
InChIK	JFHQFSYQCQJWQA-UHFFFAOYSA-N
TotalMolweight	468.5
Molweight	468.5
MonoisotopicMass	468.111692
CLogP	2.2915
CLogS	-5.629
H Acceptors	10
H Donors	1
TotalSurfaceArea	351.63
Relative PSA	0.35623
PolarSurfaceArea	148.61
Druglikeness	-1.0552
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.47059
Fragments	1
Non HAtoms	34
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	6
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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