2-hydroxy-N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]benzamide
Formula:C26H21N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-hydroxy-N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | 2-hydroxy-N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]benzamide |
| MolecularFormula | C26H21N3O2 |
| Smiles | Oc(cccc1)c1C(N/N=C\c(cc1)ccc1N(c1ccccc1)c1ccccc1)=O |
| InChI | InChI=1S/C26H21N3O2/c30-25-14-8-7-13-24(25)26(31)28-27-19-20-15-17-23(18-16-20)29(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-19,30H,(H,28,31) |
| InChIK | ZCBNHWFRQHFUHL-UHFFFAOYSA-N |
| TotalMolweight | 407.472 |
| Molweight | 407.472 |
| MonoisotopicMass | 407.163377 |
| CLogP | 5.4503 |
| CLogS | -7.601 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 323.16 |
| Relative PSA | 0.16295 |
| PolarSurfaceArea | 64.93 |
| Druglikeness | 5.0278 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Symmetricatoms | 10 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 2-hydroxy-N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]benzamide | 2 - 2-hydroxy-N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]benzamide
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