N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-4-hydroxybenzamide
Formula:C21H17N2O3Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-4-hydroxybenzamide is a drug-like molecule.
| MolName | N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-4-hydroxybenzamide |
| MolecularFormula | C21H17N2O3Br |
| Smiles | Oc(cc1)ccc1C(N/N=C\c(cc(cc1)Br)c1OCc1ccccc1)=O |
| InChI | InChI=1S/C21H17BrN2O3/c22-18-8-11-20(27-14-15-4-2-1-3-5-15)17(12-18)13-23-24-21(26)16-6-9-19(25)10-7-16/h1-13,25H,14H2,(H,24,26) |
| InChIK | ZXABKRSBJNZEHD-UHFFFAOYSA-N |
| TotalMolweight | 425.281 |
| Molweight | 425.281 |
| MonoisotopicMass | 424.042254 |
| CLogP | 4.9292 |
| CLogS | -5.6 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 295.49 |
| Relative PSA | 0.20004 |
| PolarSurfaceArea | 70.92 |
| Druglikeness | 2.2144 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-4-hydroxybenzamide | 2 - N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-4-hydroxybenzamide
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