N-[(Z)-1,3-benzothiazol-2-ylmethylideneamino]-3-fluoroaniline
Formula:C14H10N3FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzothiazol-2-ylmethylideneamino]-3-fluoroaniline is a drug-like molecule.
| MolName | N-[(Z)-1,3-benzothiazol-2-ylmethylideneamino]-3-fluoroaniline |
| MolecularFormula | C14H10N3FS |
| Smiles | Fc1cccc(N/N=C\c2nc(cccc3)c3s2)c1 |
| InChI | InChI=1S/C14H10FN3S/c15-10-4-3-5-11(8-10)18-16-9-14-17-12-6-1-2-7-13(12)19-14/h1-9,18H |
| InChIK | PUHTYLORYDJWGC-UHFFFAOYSA-N |
| TotalMolweight | 271.318 |
| Molweight | 271.318 |
| MonoisotopicMass | 271.057945 |
| CLogP | 4.9489 |
| CLogS | -3.727 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 204.89 |
| Relative PSA | 0.26502 |
| PolarSurfaceArea | 65.52 |
| Druglikeness | 2.05 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-1,3-benzothiazol-2-ylmethylideneamino]-3-fluoroaniline | 2 - N-[(Z)-1,3-benzothiazol-2-ylmethylideneamino]-3-fluoroaniline
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