(Z)-N-(4-benzhydrylpiperazin-4-ium-1-yl)-1-(3-nitrophenyl)methanimine
Formula:C24H25N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-(4-benzhydrylpiperazin-4-ium-1-yl)-1-(3-nitrophenyl)methanimine is a drug-like molecule.
| MolName | (Z)-N-(4-benzhydrylpiperazin-4-ium-1-yl)-1-(3-nitrophenyl)methanimine |
| MolecularFormula | C24H25N4O2 |
| Smiles | [O-][N+](c1cc(/C=N\N(CC2)CC[NH+]2C(c2ccccc2)c2ccccc2)ccc1)=O |
| InChI | InChI=1S/C24H24N4O2/c29-28(30)23-13-7-8-20(18-23)19-25-27-16-14-26(15-17-27)24(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-13,18-19,24H,14-17H2/p+1 |
| InChIK | VWIBXJATTNATIR-UHFFFAOYSA-O |
| TotalMolweight | 401.489 |
| Molweight | 401.489 |
| MonoisotopicMass | 401.197751 |
| CLogP | 3.0183 |
| CLogS | -4.376 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 329.89 |
| Relative PSA | 0.19118 |
| PolarSurfaceArea | 65.86 |
| Druglikeness | -0.91559 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 8 |
| Symmetricatoms | 10 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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