(E)-N-(1,3-dioxoisoindol-2-yl)-3-(furan-2-yl)prop-2-enamide

Formula:C15H10N2O4 Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-N-(1,3-dioxoisoindol-2-yl)-3-(furan-2-yl)prop-2-enamide is a drug-like molecule.

MolName(E)-N-(1,3-dioxoisoindol-2-yl)-3-(furan-2-yl)prop-2-enamide
MolecularFormulaC15H10N2O4
SmilesO=C(/C=C/c1ccco1)NN(C(c1c2cccc1)=O)C2=O
InChIInChI=1S/C15H10N2O4/c18-13(8-7-10-4-3-9-21-10)16-17-14(19)11-5-1-2-6-12(11)15(17)20/h1-9H,(H,16,18)
InChIKLDTYEOLJIJXRFF-UHFFFAOYSA-N
TotalMolweight282.254
Molweight282.254
MonoisotopicMass282.064058
CLogP0.5856
CLogS-3.223
H Acceptors6
H Donors1
TotalSurfaceArea210.72
Relative PSA0.32384
PolarSurfaceArea79.62
Druglikeness1.454
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.57143
Fragments1
Non HAtoms21
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond3
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms11
Symmetricatoms5
StereoCon

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