N-[(Z)-(2-chlorophenyl)methylideneamino]-2-pyrrol-1-ylbenzamide
Formula:C18H14N3OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-pyrrol-1-ylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chlorophenyl)methylideneamino]-2-pyrrol-1-ylbenzamide |
| MolecularFormula | C18H14N3OCl |
| Smiles | O=C(c(cccc1)c1-n1cccc1)N/N=C\c(cccc1)c1Cl |
| InChI | InChI=1S/C18H14ClN3O/c19-16-9-3-1-7-14(16)13-20-21-18(23)15-8-2-4-10-17(15)22-11-5-6-12-22/h1-13H,(H,21,23) |
| InChIK | ZINHSYVQXVNURW-UHFFFAOYSA-N |
| TotalMolweight | 323.782 |
| Molweight | 323.782 |
| MonoisotopicMass | 323.082539 |
| CLogP | 3.9925 |
| CLogS | -6.77 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 251.37 |
| Relative PSA | 0.17059 |
| PolarSurfaceArea | 46.39 |
| Druglikeness | 5.1092 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| 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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