(E)-N-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide

Formula:C16H15N3O3 Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-N-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide is a drug-like molecule.

MolName(E)-N-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide
MolecularFormulaC16H15N3O3
SmilesO=C(CNC(/C=C/c1ccccc1)=O)N/N=C\c1ccco1
InChIInChI=1S/C16H15N3O3/c20-15(9-8-13-5-2-1-3-6-13)17-12-16(21)19-18-11-14-7-4-10-22-14/h1-11H,12H2,(H,17,20)(H,19,21)
InChIKCJDMPJYLLFDULC-UHFFFAOYSA-N
TotalMolweight297.313
Molweight297.313
MonoisotopicMass297.111342
CLogP1.8032
CLogS-3.54
H Acceptors6
H Donors2
TotalSurfaceArea246.15
Relative PSA0.30315
PolarSurfaceArea83.7
Druglikeness3.8884
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.72727
Fragments1
Non HAtoms22
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond6
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms11
Sp3Atoms1
Symmetricatoms2
Amides1
StereoCon

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