N-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-1,3-benzothiazol-2-amine
Formula:C21H16N3OFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-1,3-benzothiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-1,3-benzothiazol-2-amine |
| MolecularFormula | C21H16N3OFS |
| Smiles | Fc1ccc(COc2ccc(/C=N\Nc3nc(cccc4)c4s3)cc2)cc1 |
| InChI | InChI=1S/C21H16FN3OS/c22-17-9-5-16(6-10-17)14-26-18-11-7-15(8-12-18)13-23-25-21-24-19-3-1-2-4-20(19)27-21/h1-13H,14H2,(H,24,25) |
| InChIK | PMURFKZFVBDTJR-UHFFFAOYSA-N |
| TotalMolweight | 377.442 |
| Molweight | 377.442 |
| MonoisotopicMass | 377.09981 |
| CLogP | 7.0922 |
| CLogS | -5.771 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 288.41 |
| Relative PSA | 0.22295 |
| PolarSurfaceArea | 74.75 |
| Druglikeness | 0.70156 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.7037 |
| 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 | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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