N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-1,3-benzothiazol-2-amine
Formula:C15H10N3O2BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-1,3-benzothiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-1,3-benzothiazol-2-amine |
| MolecularFormula | C15H10N3O2BrS |
| Smiles | Brc1c(/C=N\Nc2nc(cccc3)c3s2)cc2OCOc2c1 |
| InChI | InChI=1S/C15H10BrN3O2S/c16-10-6-13-12(20-8-21-13)5-9(10)7-17-19-15-18-11-3-1-2-4-14(11)22-15/h1-7H,8H2,(H,18,19) |
| InChIK | JAMQSPIXOWEZEX-UHFFFAOYSA-N |
| TotalMolweight | 376.233 |
| Molweight | 376.233 |
| MonoisotopicMass | 374.967708 |
| CLogP | 6.4799 |
| CLogS | -5.661 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 237.43 |
| Relative PSA | 0.31293 |
| PolarSurfaceArea | 83.98 |
| Druglikeness | 0.48603 |
| 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 | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-1,3-benzothiazol-2-amine | 2 - N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-1,3-benzothiazol-2-amine
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