N-[(Z)-(3-bromophenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
Formula:C19H16N3OBr
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(3-bromophenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(3-bromophenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide |
| MolecularFormula | C19H16N3OBr |
| Smiles | O=C(CNc1cc2ccccc2cc1)N/N=C\c1cccc(Br)c1 |
| InChI | InChI=1S/C19H16BrN3O/c20-17-7-3-4-14(10-17)12-22-23-19(24)13-21-18-9-8-15-5-1-2-6-16(15)11-18/h1-12,21H,13H2,(H,23,24) |
| InChIK | CAYHAZLIZOPPTO-UHFFFAOYSA-N |
| TotalMolweight | 382.26 |
| Molweight | 382.26 |
| MonoisotopicMass | 381.047673 |
| CLogP | 4.4131 |
| CLogS | -5.983 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 265.44 |
| Relative PSA | 0.17884 |
| PolarSurfaceArea | 53.49 |
| Druglikeness | 3.2401 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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