N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-1,3-benzothiazol-2-amine
Formula:C15H11N3OF2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-1,3-benzothiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-1,3-benzothiazol-2-amine |
| MolecularFormula | C15H11N3OF2S |
| Smiles | FC(Oc1c(/C=N\Nc2nc(cccc3)c3s2)cccc1)F |
| InChI | InChI=1S/C15H11F2N3OS/c16-14(17)21-12-7-3-1-5-10(12)9-18-20-15-19-11-6-2-4-8-13(11)22-15/h1-9,14H,(H,19,20) |
| InChIK | UARUTIQHKXGTMB-UHFFFAOYSA-N |
| TotalMolweight | 319.334 |
| Molweight | 319.334 |
| MonoisotopicMass | 319.059088 |
| CLogP | 5.8127 |
| CLogS | -4.738 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 233.74 |
| Relative PSA | 0.27509 |
| PolarSurfaceArea | 74.75 |
| Druglikeness | -0.37978 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-1,3-benzothiazol-2-amine | 2 - N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-1,3-benzothiazol-2-amine
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