N-[(Z)-[5-bromo-2-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-4-cyano-2-fluorobenzamide
Formula:C23H14N4O2BrF
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[5-bromo-2-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-4-cyano-2-fluorobenzamide is not a drug-like molecule.
| MolName | N-[(Z)-[5-bromo-2-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-4-cyano-2-fluorobenzamide |
| MolecularFormula | C23H14N4O2BrF |
| Smiles | N#Cc(cc1)cc(F)c1C(N/N=C\c(cc(cc1)Br)c1OCc(cccc1)c1C#N)=O |
| InChI | InChI=1S/C23H14BrFN4O2/c24-19-6-8-22(31-14-17-4-2-1-3-16(17)12-27)18(10-19)13-28-29-23(30)20-7-5-15(11-26)9-21(20)25/h1-10,13H,14H2,(H,29,30) |
| InChIK | HOTIRXHMAJVBGG-UHFFFAOYSA-N |
| TotalMolweight | 477.292 |
| Molweight | 477.292 |
| MonoisotopicMass | 476.028415 |
| CLogP | 5.0469 |
| CLogS | -7.756 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 338.91 |
| Relative PSA | 0.21578 |
| PolarSurfaceArea | 98.27 |
| Druglikeness | -3.3895 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| StereoCon |
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1 - N-[(Z)-[5-bromo-2-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-4-cyano-2-fluorobenzamide | 2 - N-[(Z)-[5-bromo-2-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-4-cyano-2-fluorobenzamide
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