(3Z)-3-[(4-pyridin-2-ylpiperazin-1-yl)methylidene]chromene-2,4-dione
Formula:C19H17N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-3-[(4-pyridin-2-ylpiperazin-1-yl)methylidene]chromene-2,4-dione is a drug-like molecule.
| MolName | (3Z)-3-[(4-pyridin-2-ylpiperazin-1-yl)methylidene]chromene-2,4-dione |
| MolecularFormula | C19H17N3O3 |
| Smiles | O=C(/C1=C/N(CC2)CCN2c2ncccc2)c(cccc2)c2OC1=O |
| InChI | InChI=1S/C19H17N3O3/c23-18-14-5-1-2-6-16(14)25-19(24)15(18)13-21-9-11-22(12-10-21)17-7-3-4-8-20-17/h1-8,13H,9-12H2 |
| InChIK | IGIBKAIHLVEAJO-UHFFFAOYSA-N |
| TotalMolweight | 335.362 |
| Molweight | 335.362 |
| MonoisotopicMass | 335.126992 |
| CLogP | 1.5102 |
| CLogS | -3.031 |
| H Acceptors | 6 |
| TotalSurfaceArea | 250.63 |
| Relative PSA | 0.21606 |
| PolarSurfaceArea | 62.74 |
| Druglikeness | 2.3698 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (3Z)-3-[(4-pyridin-2-ylpiperazin-1-yl)methylidene]chromene-2,4-dione | 2 - (3Z)-3-[(4-pyridin-2-ylpiperazin-1-yl)methylidene]chromene-2,4-dione
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