N-[5-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide

Formula:C16H12N6O5S Mutagenic:high Tumorigenic:none Reproductive Effective:none N-[5-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide is not a drug-like molecule.

MolName	N-[5-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide
MolecularFormula	C16H12N6O5S
Smiles	[O-][N+](c(cc1)ccc1C(Nc1nnc(CC(N/N=C\c2ccco2)=O)s1)=O)=O
InChI	InChI=1S/C16H12N6O5S/c23-13(19-17-9-12-2-1-7-27-12)8-14-20-21-16(28-14)18-15(24)10-3-5-11(6-4-10)22(25)26/h1-7,9H,8H2,(H,19,23)(H,18,21,24)
InChIK	FAIWROMETSNNBT-UHFFFAOYSA-N
TotalMolweight	400.374
Molweight	400.374
MonoisotopicMass	400.058989
CLogP	1.4573
CLogS	-4.547
H Acceptors	11
H Donors	2
TotalSurfaceArea	296.54
Relative PSA	0.49686
PolarSurfaceArea	183.54
Druglikeness	1.4299
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.67857
Fragments	1
Non HAtoms	28
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	2
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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