MolName : N'-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-N-(4-fluorophenyl)oxamide |
MolecularFormula : C17H14N3O4F |
Smiles : O=C(C(N/N=C\c(cc1)cc2c1OCCO2)=O)Nc(cc1)ccc1F |
InChI : InChI=1S/C17H14FN3O4/c18-12-2-4-13(5-3-12)20-16(22)17(23)21-19-10-11-1-6-14-15(9-11)25-8-7-24-14/h1-6,9-10H,7-8H2,(H,20,22)(H,21,23) |
InChIK : FMLRVQUTWXXTLO-UHFFFAOYSA-N |
TotalMolweight : 343.313 |
Molweight : 343.313 |
MonoisotopicMass : 343.096835 |
CLogP : 2.2235 |
CLogS : -4.021 |
H Acceptors : 7 |
H Donors : 2 |
TotalSurfaceArea : 256.57 |
Relative PSA : 0.31379 |
PolarSurfaceArea : 89.02 |
Druglikeness : -4.8364 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
Shape Index : 0.68 |
Fragments : 1 |
Non HAtoms : 25 |
NonCHAtoms : 8 |
Electronegative Atoms : 8 |
Rotatable Bond : 4 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 4 |
Symmetricatoms : 2 |
Amides : 1 |
StereoCon : |
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |