N-[(Z)-[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]-1-benzofuran-2-carboxamide
Formula:C20H14N3O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]-1-benzofuran-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]-1-benzofuran-2-carboxamide |
| MolecularFormula | C20H14N3O2Cl |
| Smiles | O=C(c1cc(cccc2)c2o1)N/N=C\c1cccn1-c(cc1)ccc1Cl |
| InChI | InChI=1S/C20H14ClN3O2/c21-15-7-9-16(10-8-15)24-11-3-5-17(24)13-22-23-20(25)19-12-14-4-1-2-6-18(14)26-19/h1-13H,(H,23,25) |
| InChIK | JOQAKISAVJMVRX-UHFFFAOYSA-N |
| TotalMolweight | 363.803 |
| Molweight | 363.803 |
| MonoisotopicMass | 363.077454 |
| CLogP | 4.5521 |
| CLogS | -7.977 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 275.66 |
| Relative PSA | 0.20674 |
| PolarSurfaceArea | 59.53 |
| Druglikeness | 5.5237 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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