4-[(Z)-(4-phenylpiperazin-1-yl)iminomethyl]benzoate
Formula:C18H18N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-(4-phenylpiperazin-1-yl)iminomethyl]benzoate is a drug-like molecule.
| MolName | 4-[(Z)-(4-phenylpiperazin-1-yl)iminomethyl]benzoate |
| MolecularFormula | C18H18N3O2 |
| Smiles | [O-]C(c1ccc(/C=N\N(CC2)CCN2c2ccccc2)cc1)=O |
| InChI | InChI=1S/C18H19N3O2/c22-18(23)16-8-6-15(7-9-16)14-19-21-12-10-20(11-13-21)17-4-2-1-3-5-17/h1-9,14H,10-13H2,(H,22,23)/p-1 |
| InChIK | UNZIMTSFEOSRMH-UHFFFAOYSA-M |
| TotalMolweight | 308.36 |
| Molweight | 308.36 |
| MonoisotopicMass | 308.139902 |
| CLogP | 0.5052 |
| CLogS | -3.191 |
| H Acceptors | 5 |
| TotalSurfaceArea | 245.2 |
| Relative PSA | 0.18732 |
| PolarSurfaceArea | 58.97 |
| Druglikeness | 6.344 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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