2-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-1,3-benzothiazole-6-carboxylic acid
Formula:C24H14N3O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-1,3-benzothiazole-6-carboxylic acid is not a drug-like molecule.
| MolName | 2-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-1,3-benzothiazole-6-carboxylic acid |
| MolecularFormula | C24H14N3O3ClS |
| Smiles | OC(c(cc1)cc2c1nc(N(C1=O)C(c3ccccc3)=N/C1=C\c(cc1)ccc1Cl)s2)=O |
| InChI | InChI=1S/C24H14ClN3O3S/c25-17-9-6-14(7-10-17)12-19-22(29)28(21(26-19)15-4-2-1-3-5-15)24-27-18-11-8-16(23(30)31)13-20(18)32-24/h1-13H,(H,30,31) |
| InChIK | KLLLNIHQZZISQE-UHFFFAOYSA-N |
| TotalMolweight | 459.912 |
| Molweight | 459.912 |
| MonoisotopicMass | 459.044439 |
| CLogP | 5.0309 |
| CLogS | -6.982 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 323.83 |
| Relative PSA | 0.26424 |
| PolarSurfaceArea | 111.1 |
| Druglikeness | 3.3243 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-1,3-benzothiazole-6-carboxylic acid | 2 - 2-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-1,3-benzothiazole-6-carboxylic acid
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