2-[5-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzoic acid
Formula:C21H12N2O4S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
2-[5-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzoic acid is a drug-like molecule.
| MolName | 2-[5-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzoic acid |
| MolecularFormula | C21H12N2O4S |
| Smiles | OC(c(cccc1)c1-c1ccc(/C=C2\Sc3nc(cccc4)c4n3C2=O)o1)=O |
| InChI | InChI=1S/C21H12N2O4S/c24-19-18(28-21-22-15-7-3-4-8-16(15)23(19)21)11-12-9-10-17(27-12)13-5-1-2-6-14(13)20(25)26/h1-11H,(H,25,26) |
| InChIK | SXUXSXSAQQRGTB-UHFFFAOYSA-N |
| TotalMolweight | 388.402 |
| Molweight | 388.402 |
| MonoisotopicMass | 388.051778 |
| CLogP | 3.9302 |
| CLogS | -5.608 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 275.58 |
| Relative PSA | 0.32158 |
| PolarSurfaceArea | 110.63 |
| Druglikeness | 4.2225 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[5-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzoic acid | 2 - 2-[5-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzoic acid
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