(5Z)-5-[(2,4-dichlorophenyl)methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one
Formula:C14H12N2OCl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(2,4-dichlorophenyl)methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one is a drug-like molecule.
| MolName | (5Z)-5-[(2,4-dichlorophenyl)methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one |
| MolecularFormula | C14H12N2OCl2S |
| Smiles | O=C1N=C(N2CCCC2)S/C1=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C14H12Cl2N2OS/c15-10-4-3-9(11(16)8-10)7-12-13(19)17-14(20-12)18-5-1-2-6-18/h3-4,7-8H,1-2,5-6H2 |
| InChIK | SCPOCBFONHKARO-UHFFFAOYSA-N |
| TotalMolweight | 327.234 |
| Molweight | 327.234 |
| MonoisotopicMass | 326.004737 |
| CLogP | 3.619 |
| CLogS | -5.001 |
| H Acceptors | 3 |
| TotalSurfaceArea | 225.36 |
| Relative PSA | 0.2023 |
| PolarSurfaceArea | 57.97 |
| Druglikeness | 4.1259 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (5Z)-5-[(2,4-dichlorophenyl)methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one | 2 - (5Z)-5-[(2,4-dichlorophenyl)methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one
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