N-[(Z)-benzylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide
Formula:C20H25N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide |
| MolecularFormula | C20H25N4O |
| Smiles | O=C(CC[NH+](CC1)CCN1c1ccccc1)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C20H24N4O/c25-20(22-21-17-18-7-3-1-4-8-18)11-12-23-13-15-24(16-14-23)19-9-5-2-6-10-19/h1-10,17H,11-16H2,(H,22,25)/p+1 |
| InChIK | CFRAUGGPFNAJNQ-UHFFFAOYSA-O |
| TotalMolweight | 337.446 |
| Molweight | 337.446 |
| MonoisotopicMass | 337.202836 |
| CLogP | 0.9696 |
| CLogS | -3.358 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 290.69 |
| Relative PSA | 0.1966 |
| PolarSurfaceArea | 49.14 |
| Druglikeness | 5.8039 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amines | 2 |
| AlkylAmines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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