7,8-dihydroxy-3-(4-nitrophenyl)-2-(trifluoromethyl)chromen-4-one
Molecular Formula : C16H8NO6F3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : low |7,8-dihydroxy-3-(4-nitrophenyl)-2-(trifluoromethyl)chromen-4-one is a drug-like molecule.
MolName : 7,8-dihydroxy-3-(4-nitrophenyl)-2-(trifluoromethyl)chromen-4-one |
MolecularFormula : C16H8NO6F3 |
Smiles : [O-][N+](c(cc1)ccc1C(C(c1ccc2O)=O)=C(C(F)(F)F)Oc1c2O)=O |
InChI : InChI=1S/C16H8F3NO6/c17-16(18,19)15-11(7-1-3-8(4-2-7)20(24)25)12(22)9-5-6-10(21)13(23)14(9)26-15/h1-6,21,23H |
InChIK : LHISJTKTKJNDQR-UHFFFAOYSA-N |
TotalMolweight : 367.235 |
Molweight : 367.235 |
MonoisotopicMass : 367.030373 |
CLogP : 2.2047 |
CLogS : -4.479 |
H Acceptors : 7 |
H Donors : 2 |
TotalSurfaceArea : 236.02 |
Relative PSA : 0.33751 |
PolarSurfaceArea : 112.58 |
Druglikeness : -14.141 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : low |
Irritant : none |
Nasty Functions : aromatic nitro |
Shape Index : 0.5 |
Fragments : 1 |
Non HAtoms : 26 |
NonCHAtoms : 10 |
Electronegative Atoms : 10 |
Rotatable Bond : 3 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 5 |
Symmetricatoms : 4 |
AcidicOxygens : 1 |
StereoCon : |