ethyl (2Z)-2-(phenylhydrazinylidene)-3-pyrrol-1-ylpropanoate
Formula:C15H17N3O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
ethyl (2Z)-2-(phenylhydrazinylidene)-3-pyrrol-1-ylpropanoate is a drug-like molecule.
| MolName | ethyl (2Z)-2-(phenylhydrazinylidene)-3-pyrrol-1-ylpropanoate |
| MolecularFormula | C15H17N3O2 |
| Smiles | CCOC(/C(/Cn1cccc1)=N\Nc1ccccc1)=O |
| InChI | InChI=1S/C15H17N3O2/c1-2-20-15(19)14(12-18-10-6-7-11-18)17-16-13-8-4-3-5-9-13/h3-11,16H,2,12H2,1H3 |
| InChIK | HGUNCKGCIMSBJK-UHFFFAOYSA-N |
| TotalMolweight | 271.319 |
| Molweight | 271.319 |
| MonoisotopicMass | 271.132077 |
| CLogP | 2.9782 |
| CLogS | -1.342 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 224.18 |
| Relative PSA | 0.23588 |
| PolarSurfaceArea | 55.62 |
| Druglikeness | 0.1023 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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