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3-(3-bromophenoxy)-N-[(Z)-[9-[(Z)-[3-(3-bromophenoxy)propanoylhydrazinylidene]methyl]-1,10-phenanthrolin-2-yl]methylideneamino]propanamide

Formula:C32H26N6O4Br2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-(3-bromophenoxy)-N-[(Z)-[9-[(Z)-[3-(3-bromophenoxy)propanoylhydrazinylidene]methyl]-1,10-phenanthrolin-2-yl]methylideneamino]propanamide is not a drug-like molecule.
MolName3-(3-bromophenoxy)-N-[(Z)-[9-[(Z)-[3-(3-bromophenoxy)propanoylhydrazinylidene]methyl]-1,10-phenanthrolin-2-yl]methylideneamino]propanamide
MolecularFormulaC32H26N6O4Br2
SmilesO=C(CCOc1cc(Br)ccc1)N/N=C\c1nc2c3nc(/C=N\NC(CCOc4cccc(Br)c4)=O)ccc3ccc2cc1
InChIInChI=1S/C32H26Br2N6O4/c33-23-3-1-5-27(17-23)43-15-13-29(41)39-35-19-25-11-9-21-7-8-22-10-12-26(38-32(22)31(21)37-25)20-36-40-30(42)14-16-44-28-6-2-4-24(34)18-28/h1-12,17-20H,13-16H2,(H,39,41)(H,40,42)
InChIKIIGIHADSRLXOIZ-UHFFFAOYSA-N
TotalMolweight718.404
Molweight718.404
MonoisotopicMass716.038226
CLogP6.9926
CLogS-9.054
H Acceptors10
H Donors2
TotalSurfaceArea479.74
Relative PSA0.23755
PolarSurfaceArea127.16
Druglikeness1.9704
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.63636
Fragments1
Non HAtoms44
NonCHAtoms12
Electronegative Atoms12
Rotatable Bond12
Rings Closures5
Small Rings5
Aromatic Rings5
Aromatic Atoms26
Sp3Atoms6
Symmetricatoms22
Aromatic Nitrogens2
StereoCon

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