MolName : 2-(4-chlorophenoxy)-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]acetamide |
MolecularFormula : C17H15N2O4Cl |
Smiles : O=C(COc(cc1)ccc1Cl)N/N=C\c(cc1)cc2c1OCCO2 |
InChI : InChI=1S/C17H15ClN2O4/c18-13-2-4-14(5-3-13)24-11-17(21)20-19-10-12-1-6-15-16(9-12)23-8-7-22-15/h1-6,9-10H,7-8,11H2,(H,20,21) |
InChIK : IKMHZACELHTCHM-UHFFFAOYSA-N |
TotalMolweight : 346.769 |
Molweight : 346.769 |
MonoisotopicMass : 346.072035 |
CLogP : 3.3613 |
CLogS : -4.419 |
H Acceptors : 6 |
H Donors : 1 |
TotalSurfaceArea : 260.19 |
Relative PSA : 0.2537 |
PolarSurfaceArea : 69.15 |
Druglikeness : -2.6522 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : high |
Irritant : none |
Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde |
Shape Index : 0.70833 |
Fragments : 1 |
Non HAtoms : 24 |
NonCHAtoms : 7 |
Electronegative Atoms : 7 |
Rotatable Bond : 5 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 6 |
Symmetricatoms : 2 |
StereoCon : |
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |