N-[5-[2-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide

Formula:C18H14N6O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[5-[2-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide is a drug-like molecule.

MolName	N-[5-[2-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide
MolecularFormula	C18H14N6O4S
Smiles	[O-][N+](c1ccc(/C=N/NC(Cc2nnc(NC(c3ccccc3)=O)s2)=O)cc1)=O
InChI	InChI=1S/C18H14N6O4S/c25-15(21-19-11-12-6-8-14(9-7-12)24(27)28)10-16-22-23-18(29-16)20-17(26)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,21,25)(H,20,23,26)
InChIK	WLVFJBHFANEYMM-UHFFFAOYSA-N
TotalMolweight	410.413
Molweight	410.413
MonoisotopicMass	410.079724
CLogP	2.2686
CLogS	-4.865
H Acceptors	10
H Donors	2
TotalSurfaceArea	306.85
Relative PSA	0.43419
PolarSurfaceArea	170.4
Druglikeness	1.4073
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.68966
Fragments	1
Non HAtoms	29
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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