[(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] 4-fluorobenzoate
Molecular Formula : C21H12NO4F | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |[(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] 4-fluorobenzoate is a drug-like molecule.
MolName : [(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] 4-fluorobenzoate |
MolecularFormula : C21H12NO4F |
Smiles : O=C(c(cc1)ccc1F)Oc(cc1)cc(O/C2=C\c3ccncc3)c1C2=O |
InChI : InChI=1S/C21H12FNO4/c22-15-3-1-14(2-4-15)21(25)26-16-5-6-17-18(12-16)27-19(20(17)24)11-13-7-9-23-10-8-13/h1-12H |
InChIK : CQARQCIWASCMAM-UHFFFAOYSA-N |
TotalMolweight : 361.327 |
Molweight : 361.327 |
MonoisotopicMass : 361.075037 |
CLogP : 3.849 |
CLogS : -5.131 |
H Acceptors : 5 |
TotalSurfaceArea : 264.6 |
Relative PSA : 0.21561 |
PolarSurfaceArea : 65.49 |
Druglikeness : -1.2682 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.62963 |
Fragments : 1 |
Non HAtoms : 27 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 4 |
Rings Closures : 4 |
Small Rings : 4 |
Aromatic Rings : 3 |
Aromatic Atoms : 18 |
Sp3Atoms : 2 |
Symmetricatoms : 4 |
Aromatic Nitrogens : 1 |
StereoCon : |