(4-phenylphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone
Formula:C26H27N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4-phenylphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone is a drug-like molecule.
| MolName | (4-phenylphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone |
| MolecularFormula | C26H27N2O |
| Smiles | O=C(c(cc1)ccc1-c1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 |
| InChI | InChI=1S/C26H26N2O/c29-26(25-15-13-24(14-16-25)23-11-5-2-6-12-23)28-20-18-27(19-21-28)17-7-10-22-8-3-1-4-9-22/h1-16H,17-21H2/p+1 |
| InChIK | VBANWOHCRNNRNF-UHFFFAOYSA-O |
| TotalMolweight | 383.513 |
| Molweight | 383.513 |
| MonoisotopicMass | 383.212338 |
| CLogP | 3.1721 |
| CLogS | -4.754 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 326.97 |
| Relative PSA | 0.10454 |
| PolarSurfaceArea | 24.75 |
| Druglikeness | 2.9416 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68966 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 8 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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