N-[(Z)-(2-fluorophenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]piperidine-4-carboxamide
Formula:C20H21N4O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-fluorophenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]piperidine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2-fluorophenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]piperidine-4-carboxamide |
| MolecularFormula | C20H21N4O3F |
| Smiles | [O-][N+](c1ccc(CN(CC2)CCC2C(N/N=C\c(cccc2)c2F)=O)cc1)=O |
| InChI | InChI=1S/C20H21FN4O3/c21-19-4-2-1-3-17(19)13-22-23-20(26)16-9-11-24(12-10-16)14-15-5-7-18(8-6-15)25(27)28/h1-8,13,16H,9-12,14H2,(H,23,26) |
| InChIK | LCNJMWMTLGMGLG-UHFFFAOYSA-N |
| TotalMolweight | 384.41 |
| Molweight | 384.41 |
| MonoisotopicMass | 384.159769 |
| CLogP | 1.7181 |
| CLogS | -4.587 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 295.11 |
| Relative PSA | 0.23713 |
| PolarSurfaceArea | 90.52 |
| Druglikeness | 2.8175 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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