N-[(Z)-[(E)-3-(4-bromophenyl)prop-2-enylidene]amino]-1,3-benzothiazol-2-amine
Formula:C16H12N3BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-3-(4-bromophenyl)prop-2-enylidene]amino]-1,3-benzothiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-(4-bromophenyl)prop-2-enylidene]amino]-1,3-benzothiazol-2-amine |
| MolecularFormula | C16H12N3BrS |
| Smiles | Brc1ccc(/C=C/C=N\Nc2nc(cccc3)c3s2)cc1 |
| InChI | InChI=1S/C16H12BrN3S/c17-13-9-7-12(8-10-13)4-3-11-18-20-16-19-14-5-1-2-6-15(14)21-16/h1-11H,(H,19,20) |
| InChIK | VZVXFHISDRFKJW-UHFFFAOYSA-N |
| TotalMolweight | 358.262 |
| Molweight | 358.262 |
| MonoisotopicMass | 356.993528 |
| CLogP | 6.3868 |
| CLogS | -5.242 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 243.67 |
| Relative PSA | 0.22284 |
| PolarSurfaceArea | 65.52 |
| Druglikeness | 0.80344 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| 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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