2-chloro-N-[(Z)-[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]benzamide
Formula:C18H13N3OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-chloro-N-[(Z)-[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 2-chloro-N-[(Z)-[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]benzamide |
| MolecularFormula | C18H13N3OCl2 |
| Smiles | O=C(c(cccc1)c1Cl)N/N=C\c1cccn1-c(cc1)ccc1Cl |
| InChI | InChI=1S/C18H13Cl2N3O/c19-13-7-9-14(10-8-13)23-11-3-4-15(23)12-21-22-18(24)16-5-1-2-6-17(16)20/h1-12H,(H,22,24) |
| InChIK | VSOUVNRLJWCJBK-UHFFFAOYSA-N |
| TotalMolweight | 358.227 |
| Molweight | 358.227 |
| MonoisotopicMass | 357.043566 |
| CLogP | 4.6525 |
| CLogS | -7.53 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 266.79 |
| Relative PSA | 0.16073 |
| PolarSurfaceArea | 46.39 |
| Druglikeness | 5.4858 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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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