(2Z)-2-[(2,4-dichloro-5-nitrophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Formula:C16H7N3O3Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(2Z)-2-[(2,4-dichloro-5-nitrophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is a drug-like molecule.
| MolName | (2Z)-2-[(2,4-dichloro-5-nitrophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one |
| MolecularFormula | C16H7N3O3Cl2S |
| Smiles | [O-][N+](c(cc(/C=C1\Sc2nc(cccc3)c3n2C1=O)c(Cl)c1)c1Cl)=O |
| InChI | InChI=1S/C16H7Cl2N3O3S/c17-9-7-10(18)13(21(23)24)5-8(9)6-14-15(22)20-12-4-2-1-3-11(12)19-16(20)25-14/h1-7H |
| InChIK | WIBMOFINNJVVFY-UHFFFAOYSA-N |
| TotalMolweight | 392.222 |
| Molweight | 392.222 |
| MonoisotopicMass | 390.958516 |
| CLogP | 3.7966 |
| CLogS | -6.067 |
| H Acceptors | 6 |
| TotalSurfaceArea | 256.54 |
| Relative PSA | 0.30713 |
| PolarSurfaceArea | 106.01 |
| Druglikeness | -1.6639 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (2Z)-2-[(2,4-dichloro-5-nitrophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one | 2 - (2Z)-2-[(2,4-dichloro-5-nitrophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off