N-[(Z)-(3-chloro-1-benzothiophen-2-yl)methylideneamino]aniline
Formula:C15H11N2ClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(3-chloro-1-benzothiophen-2-yl)methylideneamino]aniline is not a drug-like molecule.
| MolName | N-[(Z)-(3-chloro-1-benzothiophen-2-yl)methylideneamino]aniline |
| MolecularFormula | C15H11N2ClS |
| Smiles | Clc1c(/C=N\Nc2ccccc2)sc2c1cccc2 |
| InChI | InChI=1S/C15H11ClN2S/c16-15-12-8-4-5-9-13(12)19-14(15)10-17-18-11-6-2-1-3-7-11/h1-10,18H |
| InChIK | UYMOBIJKEUQFQT-UHFFFAOYSA-N |
| TotalMolweight | 286.785 |
| Molweight | 286.785 |
| MonoisotopicMass | 286.033145 |
| CLogP | 6.3681 |
| CLogS | -5.234 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 215.2 |
| Relative PSA | 0.20135 |
| PolarSurfaceArea | 52.63 |
| Druglikeness | 3.401 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - N-[(Z)-(3-chloro-1-benzothiophen-2-yl)methylideneamino]aniline | 2 - N-[(Z)-(3-chloro-1-benzothiophen-2-yl)methylideneamino]aniline
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