7-(2-chloroprop-2-enoxy)-5-hydroxy-2-phenylchromen-4-one
Formula:C18H13O4Cl
Mutagenic:low
Tumorigenic:low
Reproductive Effective:high
7-(2-chloroprop-2-enoxy)-5-hydroxy-2-phenylchromen-4-one is a drug-like molecule.
| MolName | 7-(2-chloroprop-2-enoxy)-5-hydroxy-2-phenylchromen-4-one |
| MolecularFormula | C18H13O4Cl |
| Smiles | C=C(COc(cc1O)cc(OC(c2ccccc2)=C2)c1C2=O)Cl |
| InChI | InChI=1S/C18H13ClO4/c1-11(19)10-22-13-7-14(20)18-15(21)9-16(23-17(18)8-13)12-5-3-2-4-6-12/h2-9,20H,1,10H2 |
| InChIK | XCFZKENOMYJGHE-UHFFFAOYSA-N |
| TotalMolweight | 328.75 |
| Molweight | 328.75 |
| MonoisotopicMass | 328.050237 |
| CLogP | 4.0939 |
| CLogS | -4.666 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 240.26 |
| Relative PSA | 0.19204 |
| PolarSurfaceArea | 55.76 |
| Druglikeness | -2.3831 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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