(3Z)-3-[2-(5-bromothiophen-2-yl)-2-oxoethylidene]-5-nitro-1H-indol-2-one
Formula:C14H7N2O4BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-3-[2-(5-bromothiophen-2-yl)-2-oxoethylidene]-5-nitro-1H-indol-2-one is a drug-like molecule.
| MolName | (3Z)-3-[2-(5-bromothiophen-2-yl)-2-oxoethylidene]-5-nitro-1H-indol-2-one |
| MolecularFormula | C14H7N2O4BrS |
| Smiles | [O-][N+](c(cc1)cc(/C2=C/C(c(s3)ccc3Br)=O)c1NC2=O)=O |
| InChI | InChI=1S/C14H7BrN2O4S/c15-13-4-3-12(22-13)11(18)6-9-8-5-7(17(20)21)1-2-10(8)16-14(9)19/h1-6H,(H,16,19) |
| InChIK | GQYIDEVZGJEETO-UHFFFAOYSA-N |
| TotalMolweight | 379.19 |
| Molweight | 379.19 |
| MonoisotopicMass | 377.930989 |
| CLogP | 1.5778 |
| CLogS | -4.778 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 229.43 |
| Relative PSA | 0.38495 |
| PolarSurfaceArea | 120.23 |
| Druglikeness | -3.8988 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (3Z)-3-[2-(5-bromothiophen-2-yl)-2-oxoethylidene]-5-nitro-1H-indol-2-one | 2 - (3Z)-3-[2-(5-bromothiophen-2-yl)-2-oxoethylidene]-5-nitro-1H-indol-2-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off