3-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]phenol
Formula:C17H19N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]phenol is a drug-like molecule.
| MolName | 3-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]phenol |
| MolecularFormula | C17H19N3O |
| Smiles | Oc1cc(/C=N/N(CC2)CCN2c2ccccc2)ccc1 |
| InChI | InChI=1S/C17H19N3O/c21-17-8-4-5-15(13-17)14-18-20-11-9-19(10-12-20)16-6-2-1-3-7-16/h1-8,13-14,21H,9-12H2 |
| InChIK | IAHBIDVTYVCLIU-UHFFFAOYSA-N |
| TotalMolweight | 281.358 |
| Molweight | 281.358 |
| MonoisotopicMass | 281.152812 |
| CLogP | 2.7504 |
| CLogS | -2.882 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 226.27 |
| Relative PSA | 0.14014 |
| PolarSurfaceArea | 39.07 |
| Druglikeness | 6.4777 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 3-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]phenol | 2 - 3-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]phenol
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