3-(4-chlorophenyl)-8-[(dibenzylamino)methyl]-7-hydroxy-2-(trifluoromethyl)chromen-4-one
Formula:C31H23NO3ClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
3-(4-chlorophenyl)-8-[(dibenzylamino)methyl]-7-hydroxy-2-(trifluoromethyl)chromen-4-one is not a drug-like molecule.
| MolName | 3-(4-chlorophenyl)-8-[(dibenzylamino)methyl]-7-hydroxy-2-(trifluoromethyl)chromen-4-one |
| MolecularFormula | C31H23NO3ClF3 |
| Smiles | Oc(cc1)c(CN(Cc2ccccc2)Cc2ccccc2)c(OC(C(F)(F)F)=C2c(cc3)ccc3Cl)c1C2=O |
| InChI | InChI=1S/C31H23ClF3NO3/c32-23-13-11-22(12-14-23)27-28(38)24-15-16-26(37)25(29(24)39-30(27)31(33,34)35)19-36(17-20-7-3-1-4-8-20)18-21-9-5-2-6-10-21/h1-16,37H,17-19H2 |
| InChIK | NUOJSWNTOXBBHO-UHFFFAOYSA-N |
| TotalMolweight | 549.975 |
| Molweight | 549.975 |
| MonoisotopicMass | 549.131855 |
| CLogP | 6.5371 |
| CLogS | -7.211 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 392.52 |
| Relative PSA | 0.10112 |
| PolarSurfaceArea | 49.77 |
| Druglikeness | -6.317 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.4359 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 7 |
| Symmetricatoms | 13 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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