(5E)-5-(7-formyl-2,3-dihydropyrrolizin-1-ylidene)-6-oxo-7H-pyrrolizine-1-carbaldehyde
Formula:C16H12N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-(7-formyl-2,3-dihydropyrrolizin-1-ylidene)-6-oxo-7H-pyrrolizine-1-carbaldehyde is a drug-like molecule.
| MolName | (5E)-5-(7-formyl-2,3-dihydropyrrolizin-1-ylidene)-6-oxo-7H-pyrrolizine-1-carbaldehyde |
| MolecularFormula | C16H12N2O3 |
| Smiles | O=Cc(cc1)c(CC2=O)n1/C2=C1/c2c(C=O)ccn2CC1 |
| InChI | InChI=1S/C16H12N2O3/c19-8-10-2-6-18-13(10)7-14(21)16(18)12-3-5-17-4-1-11(9-20)15(12)17/h1-2,4,6,8-9H,3,5,7H2 |
| InChIK | BXOWHEKNVJRUHZ-UHFFFAOYSA-N |
| TotalMolweight | 280.282 |
| Molweight | 280.282 |
| MonoisotopicMass | 280.084793 |
| CLogP | 1.9821 |
| CLogS | -1.662 |
| H Acceptors | 5 |
| TotalSurfaceArea | 205.45 |
| Relative PSA | 0.25729 |
| PolarSurfaceArea | 61.07 |
| Druglikeness | 1.2312 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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