N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-1,3-benzothiazol-2-amine
Formula:C14H9N3Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-1,3-benzothiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-1,3-benzothiazol-2-amine |
| MolecularFormula | C14H9N3Cl2S |
| Smiles | Clc(cccc1/C=N\Nc2nc(cccc3)c3s2)c1Cl |
| InChI | InChI=1S/C14H9Cl2N3S/c15-10-5-3-4-9(13(10)16)8-17-19-14-18-11-6-1-2-7-12(11)20-14/h1-8H,(H,18,19) |
| InChIK | HELVWCUXWGKRDJ-UHFFFAOYSA-N |
| TotalMolweight | 322.218 |
| Molweight | 322.218 |
| MonoisotopicMass | 320.989421 |
| CLogP | 6.8553 |
| CLogS | -5.588 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 229.38 |
| Relative PSA | 0.23673 |
| PolarSurfaceArea | 65.52 |
| Druglikeness | 2.6152 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-1,3-benzothiazol-2-amine | 2 - N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-1,3-benzothiazol-2-amine
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