(4E)-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]imino-5-methylidene-2-phenylpyrazolidin-3-one
Formula:C20H18N4O3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(4E)-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]imino-5-methylidene-2-phenylpyrazolidin-3-one is a drug-like molecule.
| MolName | (4E)-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]imino-5-methylidene-2-phenylpyrazolidin-3-one |
| MolecularFormula | C20H18N4O3 |
| Smiles | C=C(/C(/C1=O)=N\OCC(N(CC2)c3c2cccc3)=O)NN1c1ccccc1 |
| InChI | InChI=1S/C20H18N4O3/c1-14-19(20(26)24(21-14)16-8-3-2-4-9-16)22-27-13-18(25)23-12-11-15-7-5-6-10-17(15)23/h2-10,21H,1,11-13H2 |
| InChIK | BZDBSBPESGKJHU-UHFFFAOYSA-N |
| TotalMolweight | 362.388 |
| Molweight | 362.388 |
| MonoisotopicMass | 362.137891 |
| CLogP | 1.938 |
| CLogS | -3.791 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 270.58 |
| Relative PSA | 0.24447 |
| PolarSurfaceArea | 74.24 |
| Druglikeness | 4.0156 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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