(1E,6E)-4-benzoyl-1,7-diphenylhepta-1,6-diene-3,5-dione
Formula:C26H20O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1E,6E)-4-benzoyl-1,7-diphenylhepta-1,6-diene-3,5-dione is a drug-like molecule.
| MolName | (1E,6E)-4-benzoyl-1,7-diphenylhepta-1,6-diene-3,5-dione |
| MolecularFormula | C26H20O3 |
| Smiles | O=C(C(C(/C=C/c1ccccc1)=O)C(c1ccccc1)=O)/C=C/c1ccccc1 |
| InChI | InChI=1S/C26H20O3/c27-23(18-16-20-10-4-1-5-11-20)25(26(29)22-14-8-3-9-15-22)24(28)19-17-21-12-6-2-7-13-21/h1-19,25H |
| InChIK | ZMDNJCKNYGMXBO-UHFFFAOYSA-N |
| TotalMolweight | 380.442 |
| Molweight | 380.442 |
| MonoisotopicMass | 380.141245 |
| CLogP | 4.5523 |
| CLogS | -5.654 |
| H Acceptors | 3 |
| TotalSurfaceArea | 311.53 |
| Relative PSA | 0.12557 |
| PolarSurfaceArea | 51.21 |
| Druglikeness | 1.0436 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 14 |
| StereoCon |
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