N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
Formula:C18H12N3O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide |
| MolecularFormula | C18H12N3O4Br |
| Smiles | [O-][N+](c(cc(/C=N\NC(c1cc2ccccc2cc1O)=O)cc1)c1Br)=O |
| InChI | InChI=1S/C18H12BrN3O4/c19-15-6-5-11(7-16(15)22(25)26)10-20-21-18(24)14-8-12-3-1-2-4-13(12)9-17(14)23/h1-10,23H,(H,21,24) |
| InChIK | ZTRLEWOKKMFKLP-UHFFFAOYSA-N |
| TotalMolweight | 414.214 |
| Molweight | 414.214 |
| MonoisotopicMass | 413.001118 |
| CLogP | 3.8539 |
| CLogS | -6.325 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 270.24 |
| Relative PSA | 0.29429 |
| PolarSurfaceArea | 107.51 |
| Druglikeness | -2.5702 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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