N-[(Z)-(3-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]-2-hydroxybenzamide
Formula:C18H18N3O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]-2-hydroxybenzamide is a drug-like molecule.
| MolName | N-[(Z)-(3-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]-2-hydroxybenzamide |
| MolecularFormula | C18H18N3O2F |
| Smiles | Oc(cccc1)c1C(N/N=C\c(cc1)cc(F)c1N1CCCC1)=O |
| InChI | InChI=1S/C18H18FN3O2/c19-15-11-13(7-8-16(15)22-9-3-4-10-22)12-20-21-18(24)14-5-1-2-6-17(14)23/h1-2,5-8,11-12,23H,3-4,9-10H2,(H,21,24) |
| InChIK | VESSEQKMDYNQRA-UHFFFAOYSA-N |
| TotalMolweight | 327.358 |
| Molweight | 327.358 |
| MonoisotopicMass | 327.138305 |
| CLogP | 3.4477 |
| CLogS | -4.461 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 251.53 |
| Relative PSA | 0.20936 |
| PolarSurfaceArea | 64.93 |
| Druglikeness | 4.5099 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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