(E)-3-(5-nitrofuran-2-yl)-N-phenylprop-2-enamide

Formula:C13H10N2O4 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-(5-nitrofuran-2-yl)-N-phenylprop-2-enamide is a drug-like molecule.

MolName(E)-3-(5-nitrofuran-2-yl)-N-phenylprop-2-enamide
MolecularFormulaC13H10N2O4
Smiles[O-][N+](c1ccc(/C=C/C(Nc2ccccc2)=O)o1)=O
InChIInChI=1S/C13H10N2O4/c16-12(14-10-4-2-1-3-5-10)8-6-11-7-9-13(19-11)15(17)18/h1-9H,(H,14,16)
InChIKDYNJFENCTXKCGG-UHFFFAOYSA-N
TotalMolweight258.232
Molweight258.232
MonoisotopicMass258.064058
CLogP1.7548
CLogS-4.165
H Acceptors6
H Donors1
TotalSurfaceArea202.09
Relative PSA0.34158
PolarSurfaceArea88.06
Druglikeness-3.1014
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro
Shape Index0.68421
Fragments1
Non HAtoms19
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond4
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms11
Sp3Atoms1
Symmetricatoms2
Amides1
AcidicOxygens1
StereoCon

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