N-[(Z)-(4-cyanophenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide
Formula:C21H24N5O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-cyanophenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide is a drug-like molecule.
| MolName | N-[(Z)-(4-cyanophenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide |
| MolecularFormula | C21H24N5O |
| Smiles | N#Cc1ccc(/C=N\NC(CC[NH+](CC2)CCN2c2ccccc2)=O)cc1 |
| InChI | InChI=1S/C21H23N5O/c22-16-18-6-8-19(9-7-18)17-23-24-21(27)10-11-25-12-14-26(15-13-25)20-4-2-1-3-5-20/h1-9,17H,10-15H2,(H,24,27)/p+1 |
| InChIK | WKZAMQMCZGBHAQ-UHFFFAOYSA-O |
| TotalMolweight | 362.456 |
| Molweight | 362.456 |
| MonoisotopicMass | 362.198085 |
| CLogP | 0.8052 |
| CLogS | -4.131 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 312.4 |
| Relative PSA | 0.22634 |
| PolarSurfaceArea | 72.93 |
| Druglikeness | 1.5239 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.74074 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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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