N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-3,5-diphenyl-1H-pyrrole-2-carboxamide
Formula:C24H17N4O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-3,5-diphenyl-1H-pyrrole-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-3,5-diphenyl-1H-pyrrole-2-carboxamide |
| MolecularFormula | C24H17N4O3Cl |
| Smiles | [O-][N+](c(cc1)cc(/C=N\NC(c([nH]c(-c2ccccc2)c2)c2-c2ccccc2)=O)c1Cl)=O |
| InChI | InChI=1S/C24H17ClN4O3/c25-21-12-11-19(29(31)32)13-18(21)15-26-28-24(30)23-20(16-7-3-1-4-8-16)14-22(27-23)17-9-5-2-6-10-17/h1-15,27H,(H,28,30) |
| InChIK | LMKOLYXEVVZASU-UHFFFAOYSA-N |
| TotalMolweight | 444.877 |
| Molweight | 444.877 |
| MonoisotopicMass | 444.098918 |
| CLogP | 5.0719 |
| CLogS | -7.829 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 335.17 |
| Relative PSA | 0.23994 |
| PolarSurfaceArea | 103.07 |
| Druglikeness | 0.65653 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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