[4-bromo-2-[(carbamoylhydrazinylidene)methyl]phenyl] naphthalene-1-carboxylate
Formula:C19H14N3O3Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[4-bromo-2-[(carbamoylhydrazinylidene)methyl]phenyl] naphthalene-1-carboxylate is a drug-like molecule.
| MolName | [4-bromo-2-[(carbamoylhydrazinylidene)methyl]phenyl] naphthalene-1-carboxylate |
| MolecularFormula | C19H14N3O3Br |
| Smiles | NC(NN=Cc(cc(cc1)Br)c1OC(c1cccc2ccccc12)=O)=O |
| InChI | InChI=1S/C19H14BrN3O3/c20-14-8-9-17(13(10-14)11-22-23-19(21)25)26-18(24)16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,(H3,21,23,25) |
| InChIK | HXWPGPQPECKDGP-UHFFFAOYSA-N |
| TotalMolweight | 412.242 |
| Molweight | 412.242 |
| MonoisotopicMass | 411.021853 |
| CLogP | 4.4854 |
| CLogS | -6.724 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 276.49 |
| Relative PSA | 0.2688 |
| PolarSurfaceArea | 93.78 |
| Druglikeness | 2.1538 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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