(E)-3-(furan-2-yl)-N-[2-[(2Z)-2-[(5-nitrothiophen-2-yl)methylidene]hydrazinyl]-2-oxoethyl]prop-2-enamide

Formula:C14H12N4O5S Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-3-(furan-2-yl)-N-[2-[(2Z)-2-[(5-nitrothiophen-2-yl)methylidene]hydrazinyl]-2-oxoethyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(furan-2-yl)-N-[2-[(2Z)-2-[(5-nitrothiophen-2-yl)methylidene]hydrazinyl]-2-oxoethyl]prop-2-enamide
MolecularFormula	C14H12N4O5S
Smiles	[O-][N+](c1ccc(/C=N\NC(CNC(/C=C/c2ccco2)=O)=O)s1)=O
InChI	InChI=1S/C14H12N4O5S/c19-12(5-3-10-2-1-7-23-10)15-9-13(20)17-16-8-11-4-6-14(24-11)18(21)22/h1-8H,9H2,(H,15,19)(H,17,20)
InChIK	AAWSWWRUNDECGO-UHFFFAOYSA-N
TotalMolweight	348.338
Molweight	348.338
MonoisotopicMass	348.052841
CLogP	0.9378
CLogS	-4.16
H Acceptors	9
H Donors	2
TotalSurfaceArea	265.76
Relative PSA	0.47185
PolarSurfaceArea	157.76
Druglikeness	-0.2335
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.70833
Fragments	1
Non HAtoms	24
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	2
Amides	1
AcidicOxygens	1
StereoCon

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