7,8-dihydroxy-3-(1-phenylpyrazol-4-yl)chromen-4-one
Formula:C18H12N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
7,8-dihydroxy-3-(1-phenylpyrazol-4-yl)chromen-4-one is a drug-like molecule.
| MolName | 7,8-dihydroxy-3-(1-phenylpyrazol-4-yl)chromen-4-one |
| MolecularFormula | C18H12N2O4 |
| Smiles | Oc(ccc1c2OC=C(c3cn(-c4ccccc4)nc3)C1=O)c2O |
| InChI | InChI=1S/C18H12N2O4/c21-15-7-6-13-16(22)14(10-24-18(13)17(15)23)11-8-19-20(9-11)12-4-2-1-3-5-12/h1-10,21,23H |
| InChIK | TVWUDTBVVQIHCD-UHFFFAOYSA-N |
| TotalMolweight | 320.303 |
| Molweight | 320.303 |
| MonoisotopicMass | 320.079708 |
| CLogP | 1.1417 |
| CLogS | -2.758 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 232.4 |
| Relative PSA | 0.28864 |
| PolarSurfaceArea | 84.58 |
| Druglikeness | 3.6369 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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