2-[(2-chlorophenyl)methyl]-4-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,2,4-triazole-3-thione

Formula:C14H10N5O3ClS Mutagenic:high Tumorigenic:high Reproductive Effective:high 2-[(2-chlorophenyl)methyl]-4-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,2,4-triazole-3-thione is a drug-like molecule.

MolName	2-[(2-chlorophenyl)methyl]-4-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,2,4-triazole-3-thione
MolecularFormula	C14H10N5O3ClS
Smiles	[O-][N+](c1ccc(/C=N\N(C=NN2Cc(cccc3)c3Cl)C2=S)o1)=O
InChI	InChI=1S/C14H10ClN5O3S/c15-12-4-2-1-3-10(12)8-18-14(24)19(9-17-18)16-7-11-5-6-13(23-11)20(21)22/h1-7,9H,8H2
InChIK	PKKASTRCHUJKOK-UHFFFAOYSA-N
TotalMolweight	363.784
Molweight	363.784
MonoisotopicMass	363.019287
CLogP	2.3088
CLogS	-5.671
H Acceptors	8
TotalSurfaceArea	264.89
Relative PSA	0.38752
PolarSurfaceArea	122.25
Druglikeness	3.209
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.625
Fragments	1
Non HAtoms	24
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
AcidicOxygens	1
StereoCon

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1 - 2-[(2-chlorophenyl)methyl]-4-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,2,4-triazole-3-thione | 2 - 2-[(2-chlorophenyl)methyl]-4-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,2,4-triazole-3-thione

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