(E)-3-(2,4-diphenyl-4H-chromen-3-yl)-1-phenylprop-2-en-1-one
Formula:C30H22O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2,4-diphenyl-4H-chromen-3-yl)-1-phenylprop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-(2,4-diphenyl-4H-chromen-3-yl)-1-phenylprop-2-en-1-one |
| MolecularFormula | C30H22O2 |
| Smiles | O=C(/C=C/C(C1c2ccccc2)=C(c2ccccc2)Oc2c1cccc2)c1ccccc1 |
| InChI | InChI=1S/C30H22O2/c31-27(22-12-4-1-5-13-22)21-20-26-29(23-14-6-2-7-15-23)25-18-10-11-19-28(25)32-30(26)24-16-8-3-9-17-24/h1-21,29H/t29-/m0/s1 |
| InChIK | ZUURTBSFJCPVOU-LJAQVGFWSA-N |
| TotalMolweight | 414.503 |
| Molweight | 414.503 |
| MonoisotopicMass | 414.16198 |
| CLogP | 6.5178 |
| CLogS | -6.464 |
| H Acceptors | 2 |
| TotalSurfaceArea | 328.71 |
| Relative PSA | 0.070092 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | 0.61041 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.40625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| StereoCon | racemate |
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