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

Formula:C19H12N5O3BrS Mutagenic:high Tumorigenic:high Reproductive Effective:high 3-(4-bromophenyl)-4-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	3-(4-bromophenyl)-4-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-1H-1,2,4-triazole-5-thione
MolecularFormula	C19H12N5O3BrS
Smiles	[O-][N+](c1cccc(-c2ccc(/C=N\N(C(c(cc3)ccc3Br)=NN3)C3=S)o2)c1)=O
InChI	InChI=1S/C19H12BrN5O3S/c20-14-6-4-12(5-7-14)18-22-23-19(29)24(18)21-11-16-8-9-17(28-16)13-2-1-3-15(10-13)25(26)27/h1-11H,(H,23,29)
InChIK	ISKDWFWFXSMARL-UHFFFAOYSA-N
TotalMolweight	470.306
Molweight	470.306
MonoisotopicMass	468.984421
CLogP	4.0375
CLogS	-7.205
H Acceptors	8
H Donors	1
TotalSurfaceArea	313.47
Relative PSA	0.3527
PolarSurfaceArea	131.04
Druglikeness	-0.77018
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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1 - 3-(4-bromophenyl)-4-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-1H-1,2,4-triazole-5-thione | 2 - 3-(4-bromophenyl)-4-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-1H-1,2,4-triazole-5-thione

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