N-[(Z)-benzylideneamino]-4-morpholin-4-yl-3-nitrobenzamide
Formula:C18H18N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-4-morpholin-4-yl-3-nitrobenzamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-4-morpholin-4-yl-3-nitrobenzamide |
| MolecularFormula | C18H18N4O4 |
| Smiles | [O-][N+](c(cc(cc1)C(N/N=C\c2ccccc2)=O)c1N1CCOCC1)=O |
| InChI | InChI=1S/C18H18N4O4/c23-18(20-19-13-14-4-2-1-3-5-14)15-6-7-16(17(12-15)22(24)25)21-8-10-26-11-9-21/h1-7,12-13H,8-11H2,(H,20,23) |
| InChIK | GNQXMRFOLRGUFW-UHFFFAOYSA-N |
| TotalMolweight | 354.365 |
| Molweight | 354.365 |
| MonoisotopicMass | 354.132806 |
| CLogP | 1.949 |
| CLogS | -4.284 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 272.5 |
| Relative PSA | 0.2935 |
| PolarSurfaceArea | 99.75 |
| Druglikeness | 0.014355 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-benzylideneamino]-4-morpholin-4-yl-3-nitrobenzamide | 2 - N-[(Z)-benzylideneamino]-4-morpholin-4-yl-3-nitrobenzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off