(E)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]prop-2-enenitrile
Formula:C16H19N3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]prop-2-enenitrile |
| MolecularFormula | C16H19N3 |
| Smiles | N#C/C=C/N1CCN(C/C=C/c2ccccc2)CC1 |
| InChI | InChI=1S/C16H19N3/c17-9-5-11-19-14-12-18(13-15-19)10-4-8-16-6-2-1-3-7-16/h1-8,11H,10,12-15H2 |
| InChIK | VWVYIGQXYTXDLW-UHFFFAOYSA-N |
| TotalMolweight | 253.348 |
| Molweight | 253.348 |
| MonoisotopicMass | 253.157897 |
| CLogP | 1.982 |
| CLogS | -2.158 |
| H Acceptors | 3 |
| TotalSurfaceArea | 223.87 |
| Relative PSA | 0.092286 |
| PolarSurfaceArea | 30.27 |
| Druglikeness | 1.9606 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.78947 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 2 |
| StereoCon |
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