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[2-(2-benzoylhydrazinyl)-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate

Formula:C16H13N2O5Br Mutagenic:high Tumorigenic:high Reproductive Effective:none [2-(2-benzoylhydrazinyl)-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate is a drug-like molecule.
MolName[2-(2-benzoylhydrazinyl)-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate
MolecularFormulaC16H13N2O5Br
SmilesO=C(COC(/C=C/c(o1)ccc1Br)=O)NNC(c1ccccc1)=O
InChIInChI=1S/C16H13BrN2O5/c17-13-8-6-12(24-13)7-9-15(21)23-10-14(20)18-19-16(22)11-4-2-1-3-5-11/h1-9H,10H2,(H,18,20)(H,19,22)
InChIKJSRMHGMUIVSILX-UHFFFAOYSA-N
TotalMolweight393.192
Molweight393.192
MonoisotopicMass392.000784
CLogP1.516
CLogS-3.862
H Acceptors7
H Donors2
TotalSurfaceArea267.77
Relative PSA0.32173
PolarSurfaceArea97.64
Druglikeness-1.3908
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.70833
Fragments1
Non HAtoms24
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond7
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms11
Sp3Atoms2
Symmetricatoms2
StereoCon

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