[2-methyl-4-oxo-3-(4-phenylphenoxy)chromen-7-yl] acetate
Formula:C24H18O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-methyl-4-oxo-3-(4-phenylphenoxy)chromen-7-yl] acetate is not a drug-like molecule.
| MolName | [2-methyl-4-oxo-3-(4-phenylphenoxy)chromen-7-yl] acetate |
| MolecularFormula | C24H18O5 |
| Smiles | CC(Oc(cc1)cc(OC(C)=C2Oc(cc3)ccc3-c3ccccc3)c1C2=O)=O |
| InChI | InChI=1S/C24H18O5/c1-15-24(23(26)21-13-12-20(28-16(2)25)14-22(21)27-15)29-19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-14H,1-2H3 |
| InChIK | AXDGMSYMTNPZCO-UHFFFAOYSA-N |
| TotalMolweight | 386.402 |
| Molweight | 386.402 |
| MonoisotopicMass | 386.115425 |
| CLogP | 5.1697 |
| CLogS | -6.688 |
| H Acceptors | 5 |
| TotalSurfaceArea | 292.22 |
| Relative PSA | 0.19191 |
| PolarSurfaceArea | 61.83 |
| Druglikeness | -2.2405 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| StereoCon |
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