(2Z)-2-(1,3-dihydropyrrolizin-2-ylidene)-3H-pyrrolizin-1-one
Formula:C14H12N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-(1,3-dihydropyrrolizin-2-ylidene)-3H-pyrrolizin-1-one is a drug-like molecule.
| MolName | (2Z)-2-(1,3-dihydropyrrolizin-2-ylidene)-3H-pyrrolizin-1-one |
| MolecularFormula | C14H12N2O |
| Smiles | O=C1c2cccn2C/C1=C(\C1)/Cn2c1ccc2 |
| InChI | InChI=1S/C14H12N2O/c17-14-12(9-16-6-2-4-13(14)16)10-7-11-3-1-5-15(11)8-10/h1-6H,7-9H2 |
| InChIK | OAIAUDXGLIXJSQ-UHFFFAOYSA-N |
| TotalMolweight | 224.262 |
| Molweight | 224.262 |
| MonoisotopicMass | 224.094963 |
| CLogP | 2.6412 |
| CLogS | -0.519 |
| H Acceptors | 3 |
| TotalSurfaceArea | 166.37 |
| Relative PSA | 0.16097 |
| PolarSurfaceArea | 26.93 |
| Druglikeness | 4.3207 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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