(E)-1-(2-nitrophenyl)-N-(4-phenylpiperazin-1-yl)methanimine
Formula:C17H18N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(2-nitrophenyl)-N-(4-phenylpiperazin-1-yl)methanimine is a drug-like molecule.
| MolName | (E)-1-(2-nitrophenyl)-N-(4-phenylpiperazin-1-yl)methanimine |
| MolecularFormula | C17H18N4O2 |
| Smiles | [O-][N+](c1c(/C=N/N(CC2)CCN2c2ccccc2)cccc1)=O |
| InChI | InChI=1S/C17H18N4O2/c22-21(23)17-9-5-4-6-15(17)14-18-20-12-10-19(11-13-20)16-7-2-1-3-8-16/h1-9,14H,10-13H2 |
| InChIK | RYVNKLPZPBQMJK-UHFFFAOYSA-N |
| TotalMolweight | 310.356 |
| Molweight | 310.356 |
| MonoisotopicMass | 310.142976 |
| CLogP | 2.1745 |
| CLogS | -3.638 |
| H Acceptors | 6 |
| TotalSurfaceArea | 243.59 |
| Relative PSA | 0.20128 |
| PolarSurfaceArea | 64.66 |
| Druglikeness | 1.2591 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-1-(2-nitrophenyl)-N-(4-phenylpiperazin-1-yl)methanimine | 2 - (E)-1-(2-nitrophenyl)-N-(4-phenylpiperazin-1-yl)methanimine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off