(3E)-3-[(3,4-dichlorophenyl)methylidene]-4H-chromen-4-ol
Formula:C16H12O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-3-[(3,4-dichlorophenyl)methylidene]-4H-chromen-4-ol is a drug-like molecule.
| MolName | (3E)-3-[(3,4-dichlorophenyl)methylidene]-4H-chromen-4-ol |
| MolecularFormula | C16H12O2Cl2 |
| Smiles | OC1c(cccc2)c2OC/C1=C\c(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C16H12Cl2O2/c17-13-6-5-10(8-14(13)18)7-11-9-20-15-4-2-1-3-12(15)16(11)19/h1-8,16,19H,9H2/t16-/m0/s1 |
| InChIK | DUQAGDYANRZHJS-INIZCTEOSA-N |
| TotalMolweight | 307.175 |
| Molweight | 307.175 |
| MonoisotopicMass | 306.021434 |
| CLogP | 4.4606 |
| CLogS | -4.571 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 217.68 |
| Relative PSA | 0.10612 |
| PolarSurfaceArea | 29.46 |
| Druglikeness | -0.1723 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| StereoCon | racemate |
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