N-(4-bromophenyl)-N'-[(Z)-(3-hydroxyphenyl)methylideneamino]butanediamide
Formula:C17H16N3O3Br
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-(4-bromophenyl)-N'-[(Z)-(3-hydroxyphenyl)methylideneamino]butanediamide is a drug-like molecule.
| MolName | N-(4-bromophenyl)-N'-[(Z)-(3-hydroxyphenyl)methylideneamino]butanediamide |
| MolecularFormula | C17H16N3O3Br |
| Smiles | Oc1cccc(/C=N\NC(CCC(Nc(cc2)ccc2Br)=O)=O)c1 |
| InChI | InChI=1S/C17H16BrN3O3/c18-13-4-6-14(7-5-13)20-16(23)8-9-17(24)21-19-11-12-2-1-3-15(22)10-12/h1-7,10-11,22H,8-9H2,(H,20,23)(H,21,24) |
| InChIK | FIEYCUFIGKUASH-UHFFFAOYSA-N |
| TotalMolweight | 390.236 |
| Molweight | 390.236 |
| MonoisotopicMass | 389.037503 |
| CLogP | 3.4322 |
| CLogS | -4.603 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 268.7 |
| Relative PSA | 0.27395 |
| PolarSurfaceArea | 90.79 |
| Druglikeness | 1.7881 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N-(4-bromophenyl)-N'-[(Z)-(3-hydroxyphenyl)methylideneamino]butanediamide | 2 - N-(4-bromophenyl)-N'-[(Z)-(3-hydroxyphenyl)methylideneamino]butanediamide
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