(E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-nitrophenyl)methanimine
Formula:C17H17N4O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-nitrophenyl)methanimine is a drug-like molecule.
| MolName | (E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-nitrophenyl)methanimine |
| MolecularFormula | C17H17N4O2Cl |
| Smiles | [O-][N+](c1ccc(/C=N/N(CC2)CCN2c(cc2)ccc2Cl)cc1)=O |
| InChI | InChI=1S/C17H17ClN4O2/c18-15-3-7-16(8-4-15)20-9-11-21(12-10-20)19-13-14-1-5-17(6-2-14)22(23)24/h1-8,13H,9-12H2 |
| InChIK | LDXVKJDXFWSIAH-UHFFFAOYSA-N |
| TotalMolweight | 344.801 |
| Molweight | 344.801 |
| MonoisotopicMass | 344.104003 |
| CLogP | 2.7805 |
| CLogS | -4.374 |
| H Acceptors | 6 |
| TotalSurfaceArea | 259.01 |
| Relative PSA | 0.1893 |
| PolarSurfaceArea | 64.66 |
| Druglikeness | 1.2386 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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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