8-[[bis(prop-2-enyl)amino]methyl]-3-(4-chlorophenyl)-7-hydroxy-2-(trifluoromethyl)chromen-4-one
Formula:C23H19NO3ClF3
Mutagenic:none
Tumorigenic:low
Reproductive Effective:low
8-[[bis(prop-2-enyl)amino]methyl]-3-(4-chlorophenyl)-7-hydroxy-2-(trifluoromethyl)chromen-4-one is not a drug-like molecule.
| MolName | 8-[[bis(prop-2-enyl)amino]methyl]-3-(4-chlorophenyl)-7-hydroxy-2-(trifluoromethyl)chromen-4-one |
| MolecularFormula | C23H19NO3ClF3 |
| Smiles | C=CCN(CC=C)Cc(c(OC(C(F)(F)F)=C1c(cc2)ccc2Cl)c(cc2)C1=O)c2O |
| InChI | InChI=1S/C23H19ClF3NO3/c1-3-11-28(12-4-2)13-17-18(29)10-9-16-20(30)19(14-5-7-15(24)8-6-14)22(23(25,26)27)31-21(16)17/h3-10,29H,1-2,11-13H2 |
| InChIK | GGQQWGSUOFSFGB-UHFFFAOYSA-N |
| TotalMolweight | 449.855 |
| Molweight | 449.855 |
| MonoisotopicMass | 449.100555 |
| CLogP | 5.0513 |
| CLogS | -5.583 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 322.08 |
| Relative PSA | 0.12323 |
| PolarSurfaceArea | 49.77 |
| Druglikeness | -8.8871 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 7 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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