N'-[(Z)-benzylideneamino]-N-(2-bromophenyl)propanediamide
Formula:C16H14N3O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-benzylideneamino]-N-(2-bromophenyl)propanediamide is a drug-like molecule.
| MolName | N'-[(Z)-benzylideneamino]-N-(2-bromophenyl)propanediamide |
| MolecularFormula | C16H14N3O2Br |
| Smiles | O=C(CC(N/N=C\c1ccccc1)=O)Nc(cccc1)c1Br |
| InChI | InChI=1S/C16H14BrN3O2/c17-13-8-4-5-9-14(13)19-15(21)10-16(22)20-18-11-12-6-2-1-3-7-12/h1-9,11H,10H2,(H,19,21)(H,20,22) |
| InChIK | ZHECZNYGXIDHRM-UHFFFAOYSA-N |
| TotalMolweight | 360.21 |
| Molweight | 360.21 |
| MonoisotopicMass | 359.026938 |
| CLogP | 3.3235 |
| CLogS | -4.629 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 248.59 |
| Relative PSA | 0.24341 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 0.25624 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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