N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-1,3-benzothiazol-2-amine
Formula:C18H12N3OClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-1,3-benzothiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-1,3-benzothiazol-2-amine |
| MolecularFormula | C18H12N3OClS |
| Smiles | Clc(cccc1)c1-c1ccc(/C=N\Nc2nc(cccc3)c3s2)o1 |
| InChI | InChI=1S/C18H12ClN3OS/c19-14-6-2-1-5-13(14)16-10-9-12(23-16)11-20-22-18-21-15-7-3-4-8-17(15)24-18/h1-11H,(H,21,22) |
| InChIK | NOKHFZJJWLFTOM-UHFFFAOYSA-N |
| TotalMolweight | 353.832 |
| Molweight | 353.832 |
| MonoisotopicMass | 353.038959 |
| CLogP | 7.1882 |
| CLogS | -6.312 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 263.41 |
| Relative PSA | 0.25971 |
| PolarSurfaceArea | 78.66 |
| Druglikeness | 4.697 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| 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 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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