4-[7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-3-yl]oxybenzoic acid
Molecular Formula : C17H9O6F3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |4-[7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-3-yl]oxybenzoic acid is a drug-like molecule.
MolName : 4-[7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-3-yl]oxybenzoic acid |
MolecularFormula : C17H9O6F3 |
Smiles : OC(c(cc1)ccc1OC1=C(C(F)(F)F)Oc(cc(cc2)O)c2C1=O)=O |
InChI : InChI=1S/C17H9F3O6/c18-17(19,20)15-14(25-10-4-1-8(2-5-10)16(23)24)13(22)11-6-3-9(21)7-12(11)26-15/h1-7,21H,(H,23,24) |
InChIK : VYSPWKZQRJWNHF-UHFFFAOYSA-N |
TotalMolweight : 366.246 |
Molweight : 366.246 |
MonoisotopicMass : 366.035124 |
CLogP : 3.1475 |
CLogS : -4.759 |
H Acceptors : 6 |
H Donors : 2 |
TotalSurfaceArea : 240.1 |
Relative PSA : 0.30104 |
PolarSurfaceArea : 93.06 |
Druglikeness : -9.5128 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.53846 |
Fragments : 1 |
Non HAtoms : 26 |
NonCHAtoms : 9 |
Electronegative Atoms : 9 |
Rotatable Bond : 4 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 5 |
Symmetricatoms : 4 |
AcidicOxygens : 1 |
StereoCon : |