(E)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enamide

Formula:C13H10N2O4 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enamide is a drug-like molecule.

MolName	(E)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enamide
MolecularFormula	C13H10N2O4
Smiles	NC(/C=C/c1ccc(-c(cc2)ccc2[N+]([O-])=O)o1)=O
InChI	InChI=1S/C13H10N2O4/c14-13(16)8-6-11-5-7-12(19-11)9-1-3-10(4-2-9)15(17)18/h1-8H,(H2,14,16)
InChIK	NNQJEUCIPKBGJV-UHFFFAOYSA-N
TotalMolweight	258.232
Molweight	258.232
MonoisotopicMass	258.064058
CLogP	1.0934
CLogS	-3.995
H Acceptors	6
H Donors	1
TotalSurfaceArea	199.15
Relative PSA	0.36575
PolarSurfaceArea	102.05
Druglikeness	-4.5516
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.68421
Fragments	1
Non HAtoms	19
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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