(3Z)-3-benzylidene-2-phenylchromen-4-one
Formula:C22H16O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-3-benzylidene-2-phenylchromen-4-one is a drug-like molecule.
| MolName | (3Z)-3-benzylidene-2-phenylchromen-4-one |
| MolecularFormula | C22H16O2 |
| Smiles | O=C(/C1=C\c2ccccc2)c(cccc2)c2OC1c1ccccc1 |
| InChI | InChI=1S/C22H16O2/c23-21-18-13-7-8-14-20(18)24-22(17-11-5-2-6-12-17)19(21)15-16-9-3-1-4-10-16/h1-15,22H/t22-/m0/s1 |
| InChIK | HLGKTNUAJOFUMY-QFIPXVFZSA-N |
| TotalMolweight | 312.367 |
| Molweight | 312.367 |
| MonoisotopicMass | 312.11503 |
| CLogP | 4.94 |
| CLogS | -4.922 |
| H Acceptors | 2 |
| TotalSurfaceArea | 244.24 |
| Relative PSA | 0.094333 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | 0.66048 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon | racemate |
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