N-[(Z)-(3-fluorophenyl)methylideneamino]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
Formula:C19H22N4OF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-fluorophenyl)methylideneamino]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(3-fluorophenyl)methylideneamino]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide |
| MolecularFormula | C19H22N4OF |
| Smiles | O=C(C[NH+](CC1)CCN1c1ccccc1)N/N=C\c1cccc(F)c1 |
| InChI | InChI=1S/C19H21FN4O/c20-17-6-4-5-16(13-17)14-21-22-19(25)15-23-9-11-24(12-10-23)18-7-2-1-3-8-18/h1-8,13-14H,9-12,15H2,(H,22,25)/p+1 |
| InChIK | CCVDVKPRKZTDLC-UHFFFAOYSA-O |
| TotalMolweight | 341.409 |
| Molweight | 341.409 |
| MonoisotopicMass | 341.177764 |
| CLogP | 0.616 |
| CLogS | -3.402 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 283.28 |
| Relative PSA | 0.20174 |
| PolarSurfaceArea | 49.14 |
| Druglikeness | 4.522 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amines | 2 |
| AlkylAmines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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