N-[2-[(2Z)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide
Formula:C17H16N3O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[(2Z)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide is a drug-like molecule.
| MolName | N-[2-[(2Z)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide |
| MolecularFormula | C17H16N3O2Br |
| Smiles | O=C(Cc1ccccc1)NCC(N/N=C\c1cccc(Br)c1)=O |
| InChI | InChI=1S/C17H16BrN3O2/c18-15-8-4-7-14(9-15)11-20-21-17(23)12-19-16(22)10-13-5-2-1-3-6-13/h1-9,11H,10,12H2,(H,19,22)(H,21,23) |
| InChIK | RDLBJEQZDJZIBN-UHFFFAOYSA-N |
| TotalMolweight | 374.237 |
| Molweight | 374.237 |
| MonoisotopicMass | 373.042588 |
| CLogP | 3.0086 |
| CLogS | -4.287 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 262.35 |
| Relative PSA | 0.23065 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 3.6042 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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