(3Z)-3-[(5-nitro-1H-indol-3-yl)methylidene]-1H-indol-2-one
Formula:C17H11N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-3-[(5-nitro-1H-indol-3-yl)methylidene]-1H-indol-2-one is a drug-like molecule.
| MolName | (3Z)-3-[(5-nitro-1H-indol-3-yl)methylidene]-1H-indol-2-one |
| MolecularFormula | C17H11N3O3 |
| Smiles | [O-][N+](c(cc1)cc2c1[nH]cc2/C=C(/c(cccc1)c1N1)\C1=O)=O |
| InChI | InChI=1S/C17H11N3O3/c21-17-14(12-3-1-2-4-16(12)19-17)7-10-9-18-15-6-5-11(20(22)23)8-13(10)15/h1-9,18H,(H,19,21) |
| InChIK | UYWGYPSZHWUMHT-UHFFFAOYSA-N |
| TotalMolweight | 305.292 |
| Molweight | 305.292 |
| MonoisotopicMass | 305.080042 |
| CLogP | 1.3835 |
| CLogS | -4.354 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 221.28 |
| Relative PSA | 0.31142 |
| PolarSurfaceArea | 90.71 |
| Druglikeness | -2.4254 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (3Z)-3-[(5-nitro-1H-indol-3-yl)methylidene]-1H-indol-2-one | 2 - (3Z)-3-[(5-nitro-1H-indol-3-yl)methylidene]-1H-indol-2-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off