2,4-dichloro-N-[(Z)-[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]benzamide
Formula:C18H12N3OCl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,4-dichloro-N-[(Z)-[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | 2,4-dichloro-N-[(Z)-[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]benzamide |
| MolecularFormula | C18H12N3OCl3 |
| Smiles | O=C(c(ccc(Cl)c1)c1Cl)N/N=C\c1cccn1-c(cc1)ccc1Cl |
| InChI | InChI=1S/C18H12Cl3N3O/c19-12-3-6-14(7-4-12)24-9-1-2-15(24)11-22-23-18(25)16-8-5-13(20)10-17(16)21/h1-11H,(H,23,25) |
| InChIK | QYHADVFFFJZFNF-UHFFFAOYSA-N |
| TotalMolweight | 392.672 |
| Molweight | 392.672 |
| MonoisotopicMass | 391.004593 |
| CLogP | 5.2585 |
| CLogS | -8.266 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 282.21 |
| Relative PSA | 0.15194 |
| 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 | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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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