N-(3-fluorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carboxamide
Formula:C20H23N3OF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(3-fluorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carboxamide is a drug-like molecule.
| MolName | N-(3-fluorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carboxamide |
| MolecularFormula | C20H23N3OF |
| Smiles | O=C(Nc1cccc(F)c1)N1CC[NH+](C/C=C/c2ccccc2)CC1 |
| InChI | InChI=1S/C20H22FN3O/c21-18-9-4-10-19(16-18)22-20(25)24-14-12-23(13-15-24)11-5-8-17-6-2-1-3-7-17/h1-10,16H,11-15H2,(H,22,25)/p+1 |
| InChIK | ZZAJWCKFNHIZKU-UHFFFAOYSA-O |
| TotalMolweight | 340.421 |
| Molweight | 340.421 |
| MonoisotopicMass | 340.182515 |
| CLogP | 1.6076 |
| CLogS | -3.498 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 285.02 |
| Relative PSA | 0.16013 |
| PolarSurfaceArea | 36.78 |
| Druglikeness | 1.6689 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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