N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-1,3-benzothiazol-2-amine
Formula:C16H12N3BrS
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-1,3-benzothiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-1,3-benzothiazol-2-amine |
| MolecularFormula | C16H12N3BrS |
| Smiles | Br/C(/C=N\Nc1nc(cccc2)c2s1)=C\c1ccccc1 |
| InChI | InChI=1S/C16H12BrN3S/c17-13(10-12-6-2-1-3-7-12)11-18-20-16-19-14-8-4-5-9-15(14)21-16/h1-11H,(H,19,20) |
| InChIK | IHKXCMICVXHQGX-UHFFFAOYSA-N |
| TotalMolweight | 358.262 |
| Molweight | 358.262 |
| MonoisotopicMass | 356.993528 |
| CLogP | 6.2542 |
| CLogS | -5.241 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 241.88 |
| Relative PSA | 0.22449 |
| PolarSurfaceArea | 65.52 |
| Druglikeness | -2.5094 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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