3-chloro-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]aniline
Formula:C13H9N2Cl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-chloro-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]aniline is not a drug-like molecule.
| MolName | 3-chloro-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]aniline |
| MolecularFormula | C13H9N2Cl3 |
| Smiles | Clc1cccc(N/N=C\c(cc2)cc(Cl)c2Cl)c1 |
| InChI | InChI=1S/C13H9Cl3N2/c14-10-2-1-3-11(7-10)18-17-8-9-4-5-12(15)13(16)6-9/h1-8,18H |
| InChIK | PTVNKBMWLHQJPB-UHFFFAOYSA-N |
| TotalMolweight | 299.587 |
| Molweight | 299.587 |
| MonoisotopicMass | 297.983129 |
| CLogP | 6.6589 |
| CLogS | -5.357 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 215.5 |
| Relative PSA | 0.10659 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | 2.3845 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| StereoCon |
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1 - 3-chloro-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]aniline | 2 - 3-chloro-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]aniline
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