6-nitro-2-[(Z)-2-nitro-2-phenylethenyl]sulfanyl-1,3-benzothiazole
Formula:C15H9N3O4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-nitro-2-[(Z)-2-nitro-2-phenylethenyl]sulfanyl-1,3-benzothiazole is a drug-like molecule.
| MolName | 6-nitro-2-[(Z)-2-nitro-2-phenylethenyl]sulfanyl-1,3-benzothiazole |
| MolecularFormula | C15H9N3O4S2 |
| Smiles | [O-][N+](/C(/c1ccccc1)=C\Sc1nc(ccc([N+]([O-])=O)c2)c2s1)=O |
| InChI | InChI=1S/C15H9N3O4S2/c19-17(20)11-6-7-12-14(8-11)24-15(16-12)23-9-13(18(21)22)10-4-2-1-3-5-10/h1-9H |
| InChIK | LDSSHVUOXCCNJD-UHFFFAOYSA-N |
| TotalMolweight | 359.385 |
| Molweight | 359.385 |
| MonoisotopicMass | 359.003447 |
| CLogP | 2.1832 |
| CLogS | -5.396 |
| H Acceptors | 7 |
| TotalSurfaceArea | 251.86 |
| Relative PSA | 0.4354 |
| PolarSurfaceArea | 158.07 |
| Druglikeness | -5.4175 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 6-nitro-2-[(Z)-2-nitro-2-phenylethenyl]sulfanyl-1,3-benzothiazole | 2 - 6-nitro-2-[(Z)-2-nitro-2-phenylethenyl]sulfanyl-1,3-benzothiazole
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off