4-fluoro-N-[(Z)-(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]benzamide
Formula:C18H17N4O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-fluoro-N-[(Z)-(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-fluoro-N-[(Z)-(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]benzamide |
| MolecularFormula | C18H17N4O3F |
| Smiles | [O-][N+](c(cc1)cc(/C=N\NC(c(cc2)ccc2F)=O)c1N1CCCC1)=O |
| InChI | InChI=1S/C18H17FN4O3/c19-15-5-3-13(4-6-15)18(24)21-20-12-14-11-16(23(25)26)7-8-17(14)22-9-1-2-10-22/h3-8,11-12H,1-2,9-10H2,(H,21,24) |
| InChIK | AIJNMXJVYVVOQE-UHFFFAOYSA-N |
| TotalMolweight | 356.356 |
| Molweight | 356.356 |
| MonoisotopicMass | 356.128469 |
| CLogP | 2.8718 |
| CLogS | -5.217 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 268.85 |
| Relative PSA | 0.26029 |
| PolarSurfaceArea | 90.52 |
| Druglikeness | -0.59815 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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