3-(4-chlorophenyl)-7,8-dihydroxy-2-(trifluoromethyl)chromen-4-one
Molecular Formula : C16H8O4ClF3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : low |3-(4-chlorophenyl)-7,8-dihydroxy-2-(trifluoromethyl)chromen-4-one is a drug-like molecule.
MolName : 3-(4-chlorophenyl)-7,8-dihydroxy-2-(trifluoromethyl)chromen-4-one |
MolecularFormula : C16H8O4ClF3 |
Smiles : Oc(ccc1c2OC(C(F)(F)F)=C(c(cc3)ccc3Cl)C1=O)c2O |
InChI : InChI=1S/C16H8ClF3O4/c17-8-3-1-7(2-4-8)11-12(22)9-5-6-10(21)13(23)14(9)24-15(11)16(18,19)20/h1-6,21,23H |
InChIK : UIYMWPJZXGOSCE-UHFFFAOYSA-N |
TotalMolweight : 356.683 |
Molweight : 356.683 |
MonoisotopicMass : 356.006321 |
CLogP : 3.7323 |
CLogS : -4.755 |
H Acceptors : 4 |
H Donors : 2 |
TotalSurfaceArea : 227.77 |
Relative PSA : 0.21618 |
PolarSurfaceArea : 66.76 |
Druglikeness : -8.9741 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : low |
Irritant : none |
Nasty Functions : |
Shape Index : 0.5 |
Fragments : 1 |
Non HAtoms : 24 |
NonCHAtoms : 8 |
Electronegative Atoms : 8 |
Rotatable Bond : 2 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 4 |
Symmetricatoms : 4 |
StereoCon : |