N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-1,3-benzothiazol-2-amine
Formula:C16H12N3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-1,3-benzothiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-1,3-benzothiazol-2-amine |
| MolecularFormula | C16H12N3ClS |
| Smiles | Cl/C(/C=N\Nc1nc(cccc2)c2s1)=C\c1ccccc1 |
| InChI | InChI=1S/C16H12ClN3S/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 | MMKCGCLXIWUASS-UHFFFAOYSA-N |
| TotalMolweight | 313.811 |
| Molweight | 313.811 |
| MonoisotopicMass | 313.044044 |
| CLogP | 6.1232 |
| CLogS | -5.099 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 238.67 |
| Relative PSA | 0.22751 |
| PolarSurfaceArea | 65.52 |
| Druglikeness | 2.8539 |
| Mutagenic | none |
| Tumorigenic | none |
| 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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