(3Z)-5-nitro-3-(2-oxo-2-thiophen-2-ylethylidene)-1H-indol-2-one
Formula:C14H8N2O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-5-nitro-3-(2-oxo-2-thiophen-2-ylethylidene)-1H-indol-2-one is a drug-like molecule.
| MolName | (3Z)-5-nitro-3-(2-oxo-2-thiophen-2-ylethylidene)-1H-indol-2-one |
| MolecularFormula | C14H8N2O4S |
| Smiles | [O-][N+](c(cc1)cc(/C2=C/C(c3cccs3)=O)c1NC2=O)=O |
| InChI | InChI=1S/C14H8N2O4S/c17-12(13-2-1-5-21-13)7-10-9-6-8(16(19)20)3-4-11(9)15-14(10)18/h1-7H,(H,15,18) |
| InChIK | AKGRSOHJAIIZQH-UHFFFAOYSA-N |
| TotalMolweight | 300.294 |
| Molweight | 300.294 |
| MonoisotopicMass | 300.020478 |
| CLogP | 0.6479 |
| CLogS | -3.927 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 210.8 |
| Relative PSA | 0.41898 |
| PolarSurfaceArea | 120.23 |
| Druglikeness | -0.14833 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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