2-(1H-indol-3-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
Formula:C17H14N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1H-indol-3-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(1H-indol-3-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide |
| MolecularFormula | C17H14N4O3 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(Cc2c[nH]c3c2cccc3)=O)cc1)=O |
| InChI | InChI=1S/C17H14N4O3/c22-17(9-13-11-18-16-4-2-1-3-15(13)16)20-19-10-12-5-7-14(8-6-12)21(23)24/h1-8,10-11,18H,9H2,(H,20,22) |
| InChIK | OUAAEIROPMQJME-UHFFFAOYSA-N |
| TotalMolweight | 322.323 |
| Molweight | 322.323 |
| MonoisotopicMass | 322.106591 |
| CLogP | 2.3175 |
| CLogS | -4.671 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 248.59 |
| Relative PSA | 0.3235 |
| PolarSurfaceArea | 103.07 |
| Druglikeness | -0.15599 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-(1H-indol-3-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide | 2 - 2-(1H-indol-3-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off