N'-[(Z)-benzylideneamino]-N-(2-bromophenyl)butanediamide
Formula:C17H16N3O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-benzylideneamino]-N-(2-bromophenyl)butanediamide is a drug-like molecule.
| MolName | N'-[(Z)-benzylideneamino]-N-(2-bromophenyl)butanediamide |
| MolecularFormula | C17H16N3O2Br |
| Smiles | O=C(CCC(N/N=C\c1ccccc1)=O)Nc(cccc1)c1Br |
| InChI | InChI=1S/C17H16BrN3O2/c18-14-8-4-5-9-15(14)20-16(22)10-11-17(23)21-19-12-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,20,22)(H,21,23) |
| InChIK | ZRPOXBQZDZMIQE-UHFFFAOYSA-N |
| TotalMolweight | 374.237 |
| Molweight | 374.237 |
| MonoisotopicMass | 373.042588 |
| CLogP | 3.7779 |
| CLogS | -4.899 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 262.35 |
| Relative PSA | 0.23065 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 1.795 |
| 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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