(Z)-N-(4-benzhydrylpiperazin-1-yl)-1-(4-nitrophenyl)-1-phenylmethanimine
Formula:C30H28N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-(4-benzhydrylpiperazin-1-yl)-1-(4-nitrophenyl)-1-phenylmethanimine is a drug-like molecule.
| MolName | (Z)-N-(4-benzhydrylpiperazin-1-yl)-1-(4-nitrophenyl)-1-phenylmethanimine |
| MolecularFormula | C30H28N4O2 |
| Smiles | [O-][N+](c(cc1)ccc1/C(/c1ccccc1)=N\N(CC1)CCN1C(c1ccccc1)c1ccccc1)=O |
| InChI | InChI=1S/C30H28N4O2/c35-34(36)28-18-16-25(17-19-28)29(24-10-4-1-5-11-24)31-33-22-20-32(21-23-33)30(26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-19,30H,20-23H2 |
| InChIK | QETZUAKCPLMWED-UHFFFAOYSA-N |
| TotalMolweight | 476.578 |
| Molweight | 476.578 |
| MonoisotopicMass | 476.221226 |
| CLogP | 4.0834 |
| CLogS | -6.152 |
| H Acceptors | 6 |
| TotalSurfaceArea | 373.82 |
| Relative PSA | 0.13116 |
| PolarSurfaceArea | 64.66 |
| Druglikeness | 0.68748 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.47222 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 8 |
| Symmetricatoms | 14 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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