N-[(Z)-[1-(2,3-dichlorophenyl)pyrrol-2-yl]methylideneamino]aniline
Formula:C17H13N3Cl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[1-(2,3-dichlorophenyl)pyrrol-2-yl]methylideneamino]aniline is not a drug-like molecule.
| MolName | N-[(Z)-[1-(2,3-dichlorophenyl)pyrrol-2-yl]methylideneamino]aniline |
| MolecularFormula | C17H13N3Cl2 |
| Smiles | Clc(cccc1-n2c(/C=N\Nc3ccccc3)ccc2)c1Cl |
| InChI | InChI=1S/C17H13Cl2N3/c18-15-9-4-10-16(17(15)19)22-11-5-8-14(22)12-20-21-13-6-2-1-3-7-13/h1-12,21H |
| InChIK | XKZDCDBAXGSZLX-UHFFFAOYSA-N |
| TotalMolweight | 330.217 |
| Molweight | 330.217 |
| MonoisotopicMass | 329.048651 |
| CLogP | 6.2918 |
| CLogS | -6.958 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 249.04 |
| Relative PSA | 0.11982 |
| PolarSurfaceArea | 29.32 |
| Druglikeness | 3.7543 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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