(3Z)-3-benzylidenepiperazine-2,5-dione
Formula:C11H10N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-3-benzylidenepiperazine-2,5-dione is a drug-like molecule.
| MolName | (3Z)-3-benzylidenepiperazine-2,5-dione |
| MolecularFormula | C11H10N2O2 |
| Smiles | O=C(CNC1=O)N/C1=C\c1ccccc1 |
| InChI | InChI=1S/C11H10N2O2/c14-10-7-12-11(15)9(13-10)6-8-4-2-1-3-5-8/h1-6H,7H2,(H,12,15)(H,13,14) |
| InChIK | AFBRZIIBSVQJPB-UHFFFAOYSA-N |
| TotalMolweight | 202.212 |
| Molweight | 202.212 |
| MonoisotopicMass | 202.074228 |
| CLogP | 0.2886 |
| CLogS | -2.042 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 156.65 |
| Relative PSA | 0.3128 |
| PolarSurfaceArea | 58.2 |
| Druglikeness | 3.7822 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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