N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-1,3-benzothiazol-2-amine
Formula:C18H12N3OBrS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-1,3-benzothiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-1,3-benzothiazol-2-amine |
| MolecularFormula | C18H12N3OBrS |
| Smiles | Brc(cc1)ccc1-c1ccc(/C=N\Nc2nc(cccc3)c3s2)o1 |
| InChI | InChI=1S/C18H12BrN3OS/c19-13-7-5-12(6-8-13)16-10-9-14(23-16)11-20-22-18-21-15-3-1-2-4-17(15)24-18/h1-11H,(H,21,22) |
| InChIK | VWAGWNJPAJZIDX-UHFFFAOYSA-N |
| TotalMolweight | 398.283 |
| Molweight | 398.283 |
| MonoisotopicMass | 396.988443 |
| CLogP | 7.3074 |
| CLogS | -6.41 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 266.62 |
| Relative PSA | 0.25658 |
| PolarSurfaceArea | 78.66 |
| Druglikeness | 2.8742 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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