N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine
Formula:C21H16N3OBrS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine |
| MolecularFormula | C21H16N3OBrS |
| Smiles | Brc(cc1)cc(/C=N\Nc2nc(cccc3)c3s2)c1OCc1ccccc1 |
| InChI | InChI=1S/C21H16BrN3OS/c22-17-10-11-19(26-14-15-6-2-1-3-7-15)16(12-17)13-23-25-21-24-18-8-4-5-9-20(18)27-21/h1-13H,14H2,(H,24,25) |
| InChIK | BAYRRXGVQGRRQA-UHFFFAOYSA-N |
| TotalMolweight | 438.348 |
| Molweight | 438.348 |
| MonoisotopicMass | 437.019743 |
| CLogP | 7.7166 |
| CLogS | -6.291 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 300.69 |
| Relative PSA | 0.21384 |
| PolarSurfaceArea | 74.75 |
| Druglikeness | 0.25156 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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