(E)-1-(2,3-dichlorophenyl)-N-(4-phenylpiperazin-1-yl)methanimine
Formula:C17H17N3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(2,3-dichlorophenyl)-N-(4-phenylpiperazin-1-yl)methanimine is a drug-like molecule.
| MolName | (E)-1-(2,3-dichlorophenyl)-N-(4-phenylpiperazin-1-yl)methanimine |
| MolecularFormula | C17H17N3Cl2 |
| Smiles | Clc(cccc1/C=N/N(CC2)CCN2c2ccccc2)c1Cl |
| InChI | InChI=1S/C17H17Cl2N3/c18-16-8-4-5-14(17(16)19)13-20-22-11-9-21(10-12-22)15-6-2-1-3-7-15/h1-8,13H,9-12H2 |
| InChIK | OBPKBUQJOKSURI-UHFFFAOYSA-N |
| TotalMolweight | 334.249 |
| Molweight | 334.249 |
| MonoisotopicMass | 333.079951 |
| CLogP | 4.3081 |
| CLogS | -4.65 |
| H Acceptors | 3 |
| TotalSurfaceArea | 250.76 |
| Relative PSA | 0.074214 |
| PolarSurfaceArea | 18.84 |
| Druglikeness | 6.6683 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - (E)-1-(2,3-dichlorophenyl)-N-(4-phenylpiperazin-1-yl)methanimine | 2 - (E)-1-(2,3-dichlorophenyl)-N-(4-phenylpiperazin-1-yl)methanimine
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