8-chloro-7-hydroxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
Formula:C12H9O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
8-chloro-7-hydroxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one is a drug-like molecule.
| MolName | 8-chloro-7-hydroxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one |
| MolecularFormula | C12H9O3Cl |
| Smiles | Oc(cc(c(C1=C2CCC1)c1)OC2=O)c1Cl |
| InChI | InChI=1S/C12H9ClO3/c13-9-4-8-6-2-1-3-7(6)12(15)16-11(8)5-10(9)14/h4-5,14H,1-3H2 |
| InChIK | HETUGUSWOXYKSY-UHFFFAOYSA-N |
| TotalMolweight | 236.653 |
| Molweight | 236.653 |
| MonoisotopicMass | 236.024022 |
| CLogP | 2.3249 |
| CLogS | -3.019 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 159.98 |
| Relative PSA | 0.2259 |
| PolarSurfaceArea | 46.53 |
| Druglikeness | -2.6971 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| StereoCon |
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