MolName : N'-[(Z)-(3-chloro-4-nitrophenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide |
MolecularFormula : C20H18N5O6Cl |
Smiles : [O-][N+](c(ccc(/C=N\NC(C(Nc(cccc1)c1C(N1CCOCC1)=O)=O)=O)c1)c1Cl)=O |
InChI : InChI=1S/C20H18ClN5O6/c21-15-11-13(5-6-17(15)26(30)31)12-22-24-19(28)18(27)23-16-4-2-1-3-14(16)20(29)25-7-9-32-10-8-25/h1-6,11-12H,7-10H2,(H,23,27)(H,24,28) |
InChIK : VMOJPANRCZJOFK-UHFFFAOYSA-N |
TotalMolweight : 459.845 |
Molweight : 459.845 |
MonoisotopicMass : 459.094562 |
CLogP : 1.5026 |
CLogS : -4.431 |
H Acceptors : 11 |
H Donors : 2 |
TotalSurfaceArea : 334.88 |
Relative PSA : 0.35093 |
PolarSurfaceArea : 145.92 |
Druglikeness : -0.013293 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
Shape Index : 0.59375 |
Fragments : 1 |
Non HAtoms : 32 |
NonCHAtoms : 12 |
Electronegative Atoms : 12 |
Rotatable Bond : 6 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 6 |
Symmetricatoms : 2 |
Amides : 2 |
AcidicOxygens : 1 |
StereoCon : |
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |