(E)-N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-3-phenylprop-2-enehydrazide

Formula:C21H16N2O3Br2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-3-phenylprop-2-enehydrazide is not a drug-like molecule.

MolName(E)-N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-3-phenylprop-2-enehydrazide
MolecularFormulaC21H16N2O3Br2
SmilesO=C(COc(ccc1cc(Br)ccc11)c1Br)NNC(/C=C/c1ccccc1)=O
InChIInChI=1S/C21H16Br2N2O3/c22-16-8-9-17-15(12-16)7-10-18(21(17)23)28-13-20(27)25-24-19(26)11-6-14-4-2-1-3-5-14/h1-12H,13H2,(H,24,26)(H,25,27)
InChIKXFUJRMLLGNMZOQ-UHFFFAOYSA-N
TotalMolweight504.177
Molweight504.177
MonoisotopicMass501.952765
CLogP4.1665
CLogS-6.734
H Acceptors5
H Donors2
TotalSurfaceArea313.56
Relative PSA0.18816
PolarSurfaceArea67.43
Druglikeness-1.2524
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.67857
Fragments1
Non HAtoms28
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond6
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms16
Sp3Atoms2
Symmetricatoms2
StereoCon

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