3-(4-chlorophenyl)-7-hydroxy-4-phenylchromen-2-one
Formula:C21H13O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
3-(4-chlorophenyl)-7-hydroxy-4-phenylchromen-2-one is a drug-like molecule.
| MolName | 3-(4-chlorophenyl)-7-hydroxy-4-phenylchromen-2-one |
| MolecularFormula | C21H13O3Cl |
| Smiles | Oc(cc1)cc(O2)c1C(c1ccccc1)=C(c(cc1)ccc1Cl)C2=O |
| InChI | InChI=1S/C21H13ClO3/c22-15-8-6-14(7-9-15)20-19(13-4-2-1-3-5-13)17-11-10-16(23)12-18(17)25-21(20)24/h1-12,23H |
| InChIK | YMDOUFPYUBAQBS-UHFFFAOYSA-N |
| TotalMolweight | 348.784 |
| Molweight | 348.784 |
| MonoisotopicMass | 348.055322 |
| CLogP | 4.511 |
| CLogS | -4.972 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 251.72 |
| Relative PSA | 0.14357 |
| PolarSurfaceArea | 46.53 |
| Druglikeness | -0.19243 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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