N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3,5-diphenyl-1H-pyrrole-2-carboxamide
Formula:C24H17N3OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3,5-diphenyl-1H-pyrrole-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3,5-diphenyl-1H-pyrrole-2-carboxamide |
| MolecularFormula | C24H17N3OCl2 |
| Smiles | O=C(c([nH]c(-c1ccccc1)c1)c1-c1ccccc1)N/N=C\c(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C24H17Cl2N3O/c25-20-12-7-13-21(26)19(20)15-27-29-24(30)23-18(16-8-3-1-4-9-16)14-22(28-23)17-10-5-2-6-11-17/h1-15,28H,(H,29,30) |
| InChIK | SEHWLJXSELXMCE-UHFFFAOYSA-N |
| TotalMolweight | 434.325 |
| Molweight | 434.325 |
| MonoisotopicMass | 433.074866 |
| CLogP | 6.5995 |
| CLogS | -8.105 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 326.92 |
| Relative PSA | 0.15294 |
| PolarSurfaceArea | 57.25 |
| Druglikeness | 5.765 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 7 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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