(Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3-nitrophenyl)methanimine
Formula:C18H19N4O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3-nitrophenyl)methanimine is a drug-like molecule.
| MolName | (Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3-nitrophenyl)methanimine |
| MolecularFormula | C18H19N4O2Cl |
| Smiles | [O-][N+](c1cccc(/C=N\N2CCN(Cc(cc3)ccc3Cl)CC2)c1)=O |
| InChI | InChI=1S/C18H19ClN4O2/c19-17-6-4-15(5-7-17)14-21-8-10-22(11-9-21)20-13-16-2-1-3-18(12-16)23(24)25/h1-7,12-13H,8-11,14H2 |
| InChIK | QTADTPSSBBVBQA-UHFFFAOYSA-N |
| TotalMolweight | 358.828 |
| Molweight | 358.828 |
| MonoisotopicMass | 358.119653 |
| CLogP | 1.7769 |
| CLogS | -3.852 |
| H Acceptors | 6 |
| TotalSurfaceArea | 272.77 |
| Relative PSA | 0.17975 |
| PolarSurfaceArea | 64.66 |
| Druglikeness | 1.7085 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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