2-bromo-N-[2-[(2Z)-2-[(5-nitrothiophen-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide

Formula:C14H11N4O4BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-bromo-N-[2-[(2Z)-2-[(5-nitrothiophen-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is a drug-like molecule.

MolName	2-bromo-N-[2-[(2Z)-2-[(5-nitrothiophen-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
MolecularFormula	C14H11N4O4BrS
Smiles	[O-][N+](c1ccc(/C=N\NC(CNC(c(cccc2)c2Br)=O)=O)s1)=O
InChI	InChI=1S/C14H11BrN4O4S/c15-11-4-2-1-3-10(11)14(21)16-8-12(20)18-17-7-9-5-6-13(24-9)19(22)23/h1-7H,8H2,(H,16,21)(H,18,20)
InChIK	WFROADSUSOPYLL-UHFFFAOYSA-N
TotalMolweight	411.235
Molweight	411.235
MonoisotopicMass	409.968437
CLogP	2.1451
CLogS	-4.942
H Acceptors	8
H Donors	2
TotalSurfaceArea	268.2
Relative PSA	0.41495
PolarSurfaceArea	144.62
Druglikeness	-0.39002
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.66667
Fragments	1
Non HAtoms	24
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Amides	1
AcidicOxygens	1
StereoCon

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