MolName : (4Z)-4-[(4-fluorophenyl)methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5-one |
MolecularFormula : C16H9N2O4F |
Smiles : [O-][N+](c1cccc(C(OC2=O)=N/C2=C\c(cc2)ccc2F)c1)=O |
InChI : InChI=1S/C16H9FN2O4/c17-12-6-4-10(5-7-12)8-14-16(20)23-15(18-14)11-2-1-3-13(9-11)19(21)22/h1-9H |
InChIK : HGLAOFQMJFBTAC-UHFFFAOYSA-N |
TotalMolweight : 312.255 |
Molweight : 312.255 |
MonoisotopicMass : 312.054636 |
CLogP : 1.771 |
CLogS : -4.693 |
H Acceptors : 6 |
TotalSurfaceArea : 224.97 |
Relative PSA : 0.28879 |
PolarSurfaceArea : 84.48 |
Druglikeness : -5.5096 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro |
Shape Index : 0.6087 |
Fragments : 1 |
Non HAtoms : 23 |
NonCHAtoms : 7 |
Electronegative Atoms : 7 |
Rotatable Bond : 3 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 2 |
Symmetricatoms : 2 |
AcidicOxygens : 1 |
StereoCon : |
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |