(3E)-6-chloro-3-[(2,4-dichlorophenyl)methylidene]chromen-4-one
Formula:C16H9O2Cl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-6-chloro-3-[(2,4-dichlorophenyl)methylidene]chromen-4-one is not a drug-like molecule.
| MolName | (3E)-6-chloro-3-[(2,4-dichlorophenyl)methylidene]chromen-4-one |
| MolecularFormula | C16H9O2Cl3 |
| Smiles | O=C1c(cc(cc2)Cl)c2OC/C1=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C16H9Cl3O2/c17-11-3-4-15-13(6-11)16(20)10(8-21-15)5-9-1-2-12(18)7-14(9)19/h1-7H,8H2 |
| InChIK | YANXGOFLJBTFGG-UHFFFAOYSA-N |
| TotalMolweight | 339.604 |
| Molweight | 339.604 |
| MonoisotopicMass | 337.966811 |
| CLogP | 5.2418 |
| CLogS | -6.036 |
| H Acceptors | 2 |
| TotalSurfaceArea | 232 |
| Relative PSA | 0.09931 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | 0.27947 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| StereoCon |
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