N-[(Z)-[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]-4-fluorobenzamide
Formula:C18H13N3OClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]-4-fluorobenzamide is a drug-like molecule.
| MolName | N-[(Z)-[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]-4-fluorobenzamide |
| MolecularFormula | C18H13N3OClF |
| Smiles | O=C(c(cc1)ccc1F)N/N=C\c1cccn1-c(cc1)ccc1Cl |
| InChI | InChI=1S/C18H13ClFN3O/c19-14-5-9-16(10-6-14)23-11-1-2-17(23)12-21-22-18(24)13-3-7-15(20)8-4-13/h1-12H,(H,22,24) |
| InChIK | NMOKMGPQSBUMBT-UHFFFAOYSA-N |
| TotalMolweight | 341.772 |
| Molweight | 341.772 |
| MonoisotopicMass | 341.073117 |
| CLogP | 4.1473 |
| CLogS | -7.108 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 257.72 |
| Relative PSA | 0.16638 |
| PolarSurfaceArea | 46.39 |
| Druglikeness | 4.1458 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]-4-fluorobenzamide | 2 - N-[(Z)-[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]-4-fluorobenzamide
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