N-[(E)-(4-nitrophenyl)methylideneamino]-1H-indole-7-carboxamide
Formula:C16H12N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-(4-nitrophenyl)methylideneamino]-1H-indole-7-carboxamide is a drug-like molecule.
| MolName | N-[(E)-(4-nitrophenyl)methylideneamino]-1H-indole-7-carboxamide |
| MolecularFormula | C16H12N4O3 |
| Smiles | [O-][N+](c1ccc(/C=N/NC(c2c3[nH]ccc3ccc2)=O)cc1)=O |
| InChI | InChI=1S/C16H12N4O3/c21-16(14-3-1-2-12-8-9-17-15(12)14)19-18-10-11-4-6-13(7-5-11)20(22)23/h1-10,17H,(H,19,21) |
| InChIK | HOCVLMLSRSMKIY-UHFFFAOYSA-N |
| TotalMolweight | 308.296 |
| Molweight | 308.296 |
| MonoisotopicMass | 308.090941 |
| CLogP | 2.3194 |
| CLogS | -4.706 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 234.83 |
| Relative PSA | 0.34246 |
| PolarSurfaceArea | 103.07 |
| Druglikeness | -0.57637 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(E)-(4-nitrophenyl)methylideneamino]-1H-indole-7-carboxamide | 2 - N-[(E)-(4-nitrophenyl)methylideneamino]-1H-indole-7-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off