3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
Formula:C18H22N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one is a drug-like molecule.
| MolName | 3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one |
| MolecularFormula | C18H22N4O2 |
| Smiles | O=C(C(CC1)=NNC1=O)N1CCN(C/C=C/c2ccccc2)CC1 |
| InChI | InChI=1S/C18H22N4O2/c23-17-9-8-16(19-20-17)18(24)22-13-11-21(12-14-22)10-4-7-15-5-2-1-3-6-15/h1-7H,8-14H2,(H,20,23) |
| InChIK | YXLSCMPEQYHBHQ-UHFFFAOYSA-N |
| TotalMolweight | 326.399 |
| Molweight | 326.399 |
| MonoisotopicMass | 326.174276 |
| CLogP | 1.3922 |
| CLogS | -2.117 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 259.61 |
| Relative PSA | 0.21629 |
| PolarSurfaceArea | 65.01 |
| Druglikeness | 9.7522 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one | 2 - 3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off