(7-hydroxy-2-oxochromen-4-yl)methyl 3,4-dichlorobenzoate
Formula:C17H10O5Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(7-hydroxy-2-oxochromen-4-yl)methyl 3,4-dichlorobenzoate is a drug-like molecule.
| MolName | (7-hydroxy-2-oxochromen-4-yl)methyl 3,4-dichlorobenzoate |
| MolecularFormula | C17H10O5Cl2 |
| Smiles | Oc(cc1)cc(O2)c1C(COC(c(cc1)cc(Cl)c1Cl)=O)=CC2=O |
| InChI | InChI=1S/C17H10Cl2O5/c18-13-4-1-9(5-14(13)19)17(22)23-8-10-6-16(21)24-15-7-11(20)2-3-12(10)15/h1-7,20H,8H2 |
| InChIK | UBQCRUBTZBNWNS-UHFFFAOYSA-N |
| TotalMolweight | 365.167 |
| Molweight | 365.167 |
| MonoisotopicMass | 363.990529 |
| CLogP | 3.4436 |
| CLogS | -4.348 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 250.68 |
| Relative PSA | 0.23608 |
| PolarSurfaceArea | 72.83 |
| Druglikeness | -2.4694 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| StereoCon |
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