(E)-N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-3-(4-fluorophenyl)prop-2-enehydrazide

Formula:C21H15N2O3Br2F Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-3-(4-fluorophenyl)prop-2-enehydrazide is not a drug-like molecule.

MolName(E)-N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-3-(4-fluorophenyl)prop-2-enehydrazide
MolecularFormulaC21H15N2O3Br2F
SmilesO=C(COc(ccc1cc(Br)ccc11)c1Br)NNC(/C=C/c(cc1)ccc1F)=O
InChIInChI=1S/C21H15Br2FN2O3/c22-15-5-8-17-14(11-15)4-9-18(21(17)23)29-12-20(28)26-25-19(27)10-3-13-1-6-16(24)7-2-13/h1-11H,12H2,(H,25,27)(H,26,28)
InChIKZCIAJWUMGKWXFS-UHFFFAOYSA-N
TotalMolweight522.167
Molweight522.167
MonoisotopicMass519.943343
CLogP4.2673
CLogS-7.048
H Acceptors5
H Donors2
TotalSurfaceArea319.91
Relative PSA0.18443
PolarSurfaceArea67.43
Druglikeness-2.5924
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.68966
Fragments1
Non HAtoms29
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond6
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms16
Sp3Atoms2
Symmetricatoms2
StereoCon

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