N-[(Z)-[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]pyridine-3-carboxamide
Formula:C24H17N3O2Br2
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]pyridine-3-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C24H17N3O2Br2 |
| Smiles | O=C(c1cnccc1)N/N=C\c(cc1Br)cc(Br)c1OCc1cccc2ccccc12 |
| InChI | InChI=1S/C24H17Br2N3O2/c25-21-11-16(13-28-29-24(30)18-8-4-10-27-14-18)12-22(26)23(21)31-15-19-7-3-6-17-5-1-2-9-20(17)19/h1-14H,15H2,(H,29,30) |
| InChIK | DOAZFFNYFVYTDX-UHFFFAOYSA-N |
| TotalMolweight | 539.226 |
| Molweight | 539.226 |
| MonoisotopicMass | 536.968749 |
| CLogP | 6.1936 |
| CLogS | -7.541 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 341.13 |
| Relative PSA | 0.16703 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | 2.2305 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]pyridine-3-carboxamide | 2 - N-[(Z)-[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]pyridine-3-carboxamide
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