N-[(Z)-(3-bromophenyl)methylideneamino]-2-naphthalen-1-ylacetamide
Formula:C19H15N2OBr
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(3-bromophenyl)methylideneamino]-2-naphthalen-1-ylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-(3-bromophenyl)methylideneamino]-2-naphthalen-1-ylacetamide |
| MolecularFormula | C19H15N2OBr |
| Smiles | O=C(Cc1cccc2ccccc12)N/N=C\c1cccc(Br)c1 |
| InChI | InChI=1S/C19H15BrN2O/c20-17-9-3-5-14(11-17)13-21-22-19(23)12-16-8-4-7-15-6-1-2-10-18(15)16/h1-11,13H,12H2,(H,22,23) |
| InChIK | VCKXMLVXBKZRED-UHFFFAOYSA-N |
| TotalMolweight | 367.245 |
| Molweight | 367.245 |
| MonoisotopicMass | 366.036774 |
| CLogP | 5.1193 |
| CLogS | -6.126 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 253.98 |
| Relative PSA | 0.14178 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 2.5805 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| StereoCon |
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