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

Formula:C22H15N7O2S2 Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-[(Z)-[3-(4-nitrophenyl)-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-nitrophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
MolecularFormula	C22H15N7O2S2
Smiles	[O-][N+](c(cc1)ccc1-c(c(/C=N\N(C(c1cccs1)=NN1)C1=S)c1)nn1-c1ccccc1)=O
InChI	InChI=1S/C22H15N7O2S2/c30-29(31)18-10-8-15(9-11-18)20-16(14-27(26-20)17-5-2-1-3-6-17)13-23-28-21(24-25-22(28)32)19-7-4-12-33-19/h1-14H,(H,25,32)
InChIK	ARJQCZAEQUEAPX-UHFFFAOYSA-N
TotalMolweight	473.54
Molweight	473.54
MonoisotopicMass	473.072863
CLogP	3.159
CLogS	-6.434
H Acceptors	9
H Donors	1
TotalSurfaceArea	348.81
Relative PSA	0.38603
PolarSurfaceArea	163.96
Druglikeness	0.54919
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.45455
Fragments	1
Non HAtoms	33
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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