(3-oxobenzo[f]chromen-1-yl)methyl (E)-3-(3-chlorophenyl)prop-2-enoate
Formula:C23H15O4Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(3-oxobenzo[f]chromen-1-yl)methyl (E)-3-(3-chlorophenyl)prop-2-enoate is a drug-like molecule.
| MolName | (3-oxobenzo[f]chromen-1-yl)methyl (E)-3-(3-chlorophenyl)prop-2-enoate |
| MolecularFormula | C23H15O4Cl |
| Smiles | O=C(/C=C/c1cccc(Cl)c1)OCC(c(c1ccccc1cc1)c1O1)=CC1=O |
| InChI | InChI=1S/C23H15ClO4/c24-18-6-3-4-15(12-18)8-11-21(25)27-14-17-13-22(26)28-20-10-9-16-5-1-2-7-19(16)23(17)20/h1-13H,14H2 |
| InChIK | FMKVHAISVUNQDU-UHFFFAOYSA-N |
| TotalMolweight | 390.821 |
| Molweight | 390.821 |
| MonoisotopicMass | 390.065887 |
| CLogP | 4.7069 |
| CLogS | -5.884 |
| H Acceptors | 4 |
| TotalSurfaceArea | 290.01 |
| Relative PSA | 0.15889 |
| PolarSurfaceArea | 52.6 |
| Druglikeness | -2.384 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| StereoCon |
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