2-[(Z)-N-anilino-C-phenylcarbonimidoyl]-4-chloroaniline
Formula:C19H16N3Cl
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
2-[(Z)-N-anilino-C-phenylcarbonimidoyl]-4-chloroaniline is not a drug-like molecule.
| MolName | 2-[(Z)-N-anilino-C-phenylcarbonimidoyl]-4-chloroaniline |
| MolecularFormula | C19H16N3Cl |
| Smiles | Nc(ccc(Cl)c1)c1/C(/c1ccccc1)=N\Nc1ccccc1 |
| InChI | InChI=1S/C19H16ClN3/c20-15-11-12-18(21)17(13-15)19(14-7-3-1-4-8-14)23-22-16-9-5-2-6-10-16/h1-13,22H,21H2 |
| InChIK | VNBCHAOILZTKRH-UHFFFAOYSA-N |
| TotalMolweight | 321.81 |
| Molweight | 321.81 |
| MonoisotopicMass | 321.103274 |
| CLogP | 5.9663 |
| CLogS | -5.737 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 251.15 |
| Relative PSA | 0.15226 |
| PolarSurfaceArea | 50.41 |
| Druglikeness | 1.2118 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47826 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 2-[(Z)-N-anilino-C-phenylcarbonimidoyl]-4-chloroaniline | 2 - 2-[(Z)-N-anilino-C-phenylcarbonimidoyl]-4-chloroaniline
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