3-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]benzoic acid
Formula:C17H10N2O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]benzoic acid is a drug-like molecule.
| MolName | 3-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]benzoic acid |
| MolecularFormula | C17H10N2O3S |
| Smiles | OC(c1cccc(/C=C2\Sc3nc(cccc4)c4n3C2=O)c1)=O |
| InChI | InChI=1S/C17H10N2O3S/c20-15-14(9-10-4-3-5-11(8-10)16(21)22)23-17-18-12-6-1-2-7-13(12)19(15)17/h1-9H,(H,21,22) |
| InChIK | RHNFNWGBHCMFSH-UHFFFAOYSA-N |
| TotalMolweight | 322.343 |
| Molweight | 322.343 |
| MonoisotopicMass | 322.041213 |
| CLogP | 2.9913 |
| CLogS | -4.148 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 226.13 |
| Relative PSA | 0.3295 |
| PolarSurfaceArea | 97.49 |
| Druglikeness | 3.2595 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 3-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]benzoic acid | 2 - 3-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]benzoic acid
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