4-(naphthalen-2-yloxymethyl)-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide
Formula:C25H19N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(naphthalen-2-yloxymethyl)-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-(naphthalen-2-yloxymethyl)-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide |
| MolecularFormula | C25H19N3O4 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(c2ccc(COc3cc4ccccc4cc3)cc2)=O)cc1)=O |
| InChI | InChI=1S/C25H19N3O4/c29-25(27-26-16-18-7-12-23(13-8-18)28(30)31)21-9-5-19(6-10-21)17-32-24-14-11-20-3-1-2-4-22(20)15-24/h1-16H,17H2,(H,27,29) |
| InChIK | UXCGJXGHGFZEBK-UHFFFAOYSA-N |
| TotalMolweight | 425.443 |
| Molweight | 425.443 |
| MonoisotopicMass | 425.137557 |
| CLogP | 4.8225 |
| CLogS | -7.128 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 328.78 |
| Relative PSA | 0.23247 |
| PolarSurfaceArea | 96.51 |
| Druglikeness | -1.1157 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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