3-bromo-N-[(Z)-3-phenylpropylideneamino]benzamide
Formula:C16H15N2OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-bromo-N-[(Z)-3-phenylpropylideneamino]benzamide is a drug-like molecule.
| MolName | 3-bromo-N-[(Z)-3-phenylpropylideneamino]benzamide |
| MolecularFormula | C16H15N2OBr |
| Smiles | O=C(c1cccc(Br)c1)N/N=C\CCc1ccccc1 |
| InChI | InChI=1S/C16H15BrN2O/c17-15-10-4-9-14(12-15)16(20)19-18-11-5-8-13-6-2-1-3-7-13/h1-4,6-7,9-12H,5,8H2,(H,19,20) |
| InChIK | XKDZGFCVYHMLCJ-UHFFFAOYSA-N |
| TotalMolweight | 331.212 |
| Molweight | 331.212 |
| MonoisotopicMass | 330.036774 |
| CLogP | 4.0684 |
| CLogS | -4.712 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 233.14 |
| Relative PSA | 0.15446 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 1.4823 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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