(5Z)-2-amino-5-[(3,4-dichlorophenyl)methylidene]-1,3-thiazol-4-one
Formula:C10H6N2OCl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-2-amino-5-[(3,4-dichlorophenyl)methylidene]-1,3-thiazol-4-one is a drug-like molecule.
| MolName | (5Z)-2-amino-5-[(3,4-dichlorophenyl)methylidene]-1,3-thiazol-4-one |
| MolecularFormula | C10H6N2OCl2S |
| Smiles | NC(S/C1=C\c(cc2)cc(Cl)c2Cl)=NC1=O |
| InChI | InChI=1S/C10H6Cl2N2OS/c11-6-2-1-5(3-7(6)12)4-8-9(15)14-10(13)16-8/h1-4H,(H2,13,14,15) |
| InChIK | KDMZDVJPQWTLMQ-UHFFFAOYSA-N |
| TotalMolweight | 273.143 |
| Molweight | 273.143 |
| MonoisotopicMass | 271.957787 |
| CLogP | 2.21 |
| CLogS | -4.761 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 182.04 |
| Relative PSA | 0.31482 |
| PolarSurfaceArea | 80.75 |
| Druglikeness | 2.2865 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (5Z)-2-amino-5-[(3,4-dichlorophenyl)methylidene]-1,3-thiazol-4-one | 2 - (5Z)-2-amino-5-[(3,4-dichlorophenyl)methylidene]-1,3-thiazol-4-one
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