(E)-2-(1-benzoylpyrrolidin-2-yl)-2-hydroxyethenediazonium
Formula:C13H14N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(1-benzoylpyrrolidin-2-yl)-2-hydroxyethenediazonium is a drug-like molecule.
| MolName | (E)-2-(1-benzoylpyrrolidin-2-yl)-2-hydroxyethenediazonium |
| MolecularFormula | C13H14N3O2 |
| Smiles | N#[N+]/C=C(\C(CCC1)N1C(c1ccccc1)=O)/O |
| InChI | InChI=1S/C13H13N3O2/c14-15-9-12(17)11-7-4-8-16(11)13(18)10-5-2-1-3-6-10/h1-3,5-6,9,11H,4,7-8H2/p+1/b12-9+/t11-/m0/s1 |
| InChIK | JSKFTTQKBUBZEA-UTEVDWOZSA-O |
| TotalMolweight | 244.273 |
| Molweight | 244.273 |
| MonoisotopicMass | 244.108602 |
| CLogP | 1.6701 |
| CLogS | -2.347 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 197.22 |
| Relative PSA | 0.30935 |
| PolarSurfaceArea | 68.69 |
| Druglikeness | 2.2146 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
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