3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]chromen-2-one
Formula:C23H22N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]chromen-2-one is a drug-like molecule.
| MolName | 3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]chromen-2-one |
| MolecularFormula | C23H22N2O3 |
| Smiles | O=C(C1=Cc(cccc2)c2OC1=O)N1CCN(C/C=C/c2ccccc2)CC1 |
| InChI | InChI=1S/C23H22N2O3/c26-22(20-17-19-10-4-5-11-21(19)28-23(20)27)25-15-13-24(14-16-25)12-6-9-18-7-2-1-3-8-18/h1-11,17H,12-16H2 |
| InChIK | POHAAYJJEFJCRO-UHFFFAOYSA-N |
| TotalMolweight | 374.439 |
| Molweight | 374.439 |
| MonoisotopicMass | 374.163043 |
| CLogP | 3.1392 |
| CLogS | -3.008 |
| H Acceptors | 5 |
| TotalSurfaceArea | 292.13 |
| Relative PSA | 0.14781 |
| PolarSurfaceArea | 49.85 |
| Druglikeness | 5.9253 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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