(Z,E)-3-(2-nitrophenyl)-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine
Formula:C19H20N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z,E)-3-(2-nitrophenyl)-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine is a drug-like molecule.
| MolName | (Z,E)-3-(2-nitrophenyl)-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine |
| MolecularFormula | C19H20N4O2 |
| Smiles | [O-][N+](c1c(/C=C/C=N\N(CC2)CCN2c2ccccc2)cccc1)=O |
| InChI | InChI=1S/C19H20N4O2/c24-23(25)19-11-5-4-7-17(19)8-6-12-20-22-15-13-21(14-16-22)18-9-2-1-3-10-18/h1-12H,13-16H2 |
| InChIK | BEAQJIZBMQSFLV-UHFFFAOYSA-N |
| TotalMolweight | 336.394 |
| Molweight | 336.394 |
| MonoisotopicMass | 336.158626 |
| CLogP | 2.1928 |
| CLogS | -3.93 |
| H Acceptors | 6 |
| TotalSurfaceArea | 270.09 |
| Relative PSA | 0.18153 |
| PolarSurfaceArea | 64.66 |
| Druglikeness | 1.173 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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