(Z)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(4-nitrophenyl)ethanimine
Formula:C19H22N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(4-nitrophenyl)ethanimine is a drug-like molecule.
| MolName | (Z)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(4-nitrophenyl)ethanimine |
| MolecularFormula | C19H22N4O3 |
| Smiles | C/C(/c(cc1)ccc1[N+]([O-])=O)=N/N(CC1)CCN1c(cccc1)c1OC |
| InChI | InChI=1S/C19H22N4O3/c1-15(16-7-9-17(10-8-16)23(24)25)20-22-13-11-21(12-14-22)18-5-3-4-6-19(18)26-2/h3-10H,11-14H2,1-2H3 |
| InChIK | INNCXYPHCWEPIH-UHFFFAOYSA-N |
| TotalMolweight | 354.409 |
| Molweight | 354.409 |
| MonoisotopicMass | 354.169191 |
| CLogP | 2.0424 |
| CLogS | -4.016 |
| H Acceptors | 7 |
| TotalSurfaceArea | 276.32 |
| Relative PSA | 0.21363 |
| PolarSurfaceArea | 73.89 |
| Druglikeness | 0.27711 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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