1-[(Z)-(4-nitrophenyl)methylideneamino]-3H-indol-2-one
Formula:C15H11N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(Z)-(4-nitrophenyl)methylideneamino]-3H-indol-2-one is a drug-like molecule.
| MolName | 1-[(Z)-(4-nitrophenyl)methylideneamino]-3H-indol-2-one |
| MolecularFormula | C15H11N3O3 |
| Smiles | [O-][N+](c1ccc(/C=N\N(C(C2)=O)c3c2cccc3)cc1)=O |
| InChI | InChI=1S/C15H11N3O3/c19-15-9-12-3-1-2-4-14(12)17(15)16-10-11-5-7-13(8-6-11)18(20)21/h1-8,10H,9H2 |
| InChIK | GIGSBAQYGUSLBJ-UHFFFAOYSA-N |
| TotalMolweight | 281.27 |
| Molweight | 281.27 |
| MonoisotopicMass | 281.080042 |
| CLogP | 2.3188 |
| CLogS | -3.77 |
| H Acceptors | 6 |
| TotalSurfaceArea | 209.76 |
| Relative PSA | 0.27899 |
| PolarSurfaceArea | 78.49 |
| Druglikeness | -1.4232 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 1-[(Z)-(4-nitrophenyl)methylideneamino]-3H-indol-2-one | 2 - 1-[(Z)-(4-nitrophenyl)methylideneamino]-3H-indol-2-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off