(3Z)-3-(2,1,3-benzothiadiazol-5-ylmethylidene)-1H-indol-2-one
Formula:C15H9N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-3-(2,1,3-benzothiadiazol-5-ylmethylidene)-1H-indol-2-one is a drug-like molecule.
| MolName | (3Z)-3-(2,1,3-benzothiadiazol-5-ylmethylidene)-1H-indol-2-one |
| MolecularFormula | C15H9N3OS |
| Smiles | O=C1Nc(cccc2)c2/C1=C/c1cc2nsnc2cc1 |
| InChI | InChI=1S/C15H9N3OS/c19-15-11(10-3-1-2-4-12(10)16-15)7-9-5-6-13-14(8-9)18-20-17-13/h1-8H,(H,16,19) |
| InChIK | CXLGDAZLRNXJME-UHFFFAOYSA-N |
| TotalMolweight | 279.322 |
| Molweight | 279.322 |
| MonoisotopicMass | 279.046632 |
| CLogP | 2.7823 |
| CLogS | -0.0010002 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 201.5 |
| Relative PSA | 0.33151 |
| PolarSurfaceArea | 83.12 |
| Druglikeness | 3.3207 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 1 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - (3Z)-3-(2,1,3-benzothiadiazol-5-ylmethylidene)-1H-indol-2-one | 2 - (3Z)-3-(2,1,3-benzothiadiazol-5-ylmethylidene)-1H-indol-2-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off