3-(2-chlorophenoxy)-8-[(dibenzylamino)methyl]-7-hydroxy-2-(trifluoromethyl)chromen-4-one
Formula:C31H23NO4ClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(2-chlorophenoxy)-8-[(dibenzylamino)methyl]-7-hydroxy-2-(trifluoromethyl)chromen-4-one is not a drug-like molecule.
| MolName | 3-(2-chlorophenoxy)-8-[(dibenzylamino)methyl]-7-hydroxy-2-(trifluoromethyl)chromen-4-one |
| MolecularFormula | C31H23NO4ClF3 |
| Smiles | Oc(cc1)c(CN(Cc2ccccc2)Cc2ccccc2)c(OC(C(F)(F)F)=C2Oc(cccc3)c3Cl)c1C2=O |
| InChI | InChI=1S/C31H23ClF3NO4/c32-24-13-7-8-14-26(24)39-29-27(38)22-15-16-25(37)23(28(22)40-30(29)31(33,34)35)19-36(17-20-9-3-1-4-10-20)18-21-11-5-2-6-12-21/h1-16,37H,17-19H2 |
| InChIK | GIZGTZKSVRTRMC-UHFFFAOYSA-N |
| TotalMolweight | 565.974 |
| Molweight | 565.974 |
| MonoisotopicMass | 565.12677 |
| CLogP | 6.7275 |
| CLogS | -7.642 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 402.52 |
| Relative PSA | 0.12345 |
| PolarSurfaceArea | 59 |
| Druglikeness | -6.6359 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.425 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 8 |
| Symmetricatoms | 11 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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