(3E)-3-[(4-nitrophenyl)methoxyimino]-N-phenylpropanamide
Formula:C16H15N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-3-[(4-nitrophenyl)methoxyimino]-N-phenylpropanamide is a drug-like molecule.
| MolName | (3E)-3-[(4-nitrophenyl)methoxyimino]-N-phenylpropanamide |
| MolecularFormula | C16H15N3O4 |
| Smiles | [O-][N+](c1ccc(CO/N=C/CC(Nc2ccccc2)=O)cc1)=O |
| InChI | InChI=1S/C16H15N3O4/c20-16(18-14-4-2-1-3-5-14)10-11-17-23-12-13-6-8-15(9-7-13)19(21)22/h1-9,11H,10,12H2,(H,18,20) |
| InChIK | WMFVFKHFXSFJFX-UHFFFAOYSA-N |
| TotalMolweight | 313.312 |
| Molweight | 313.312 |
| MonoisotopicMass | 313.106257 |
| CLogP | 1.9999 |
| CLogS | -4.098 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 248.18 |
| Relative PSA | 0.30796 |
| PolarSurfaceArea | 96.51 |
| Druglikeness | -2.9728 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.73913 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (3E)-3-[(4-nitrophenyl)methoxyimino]-N-phenylpropanamide | 2 - (3E)-3-[(4-nitrophenyl)methoxyimino]-N-phenylpropanamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off