2-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]benzoic acid
Formula:C11H8N2O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]benzoic acid is a drug-like molecule.
| MolName | 2-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]benzoic acid |
| MolecularFormula | C11H8N2O3S |
| Smiles | NC(S/C1=C\c(cccc2)c2C(O)=O)=NC1=O |
| InChI | InChI=1S/C11H8N2O3S/c12-11-13-9(14)8(17-11)5-6-3-1-2-4-7(6)10(15)16/h1-5H,(H,15,16)(H2,12,13,14) |
| InChIK | OAKVNGCOFXPTSU-UHFFFAOYSA-N |
| TotalMolweight | 248.262 |
| Molweight | 248.262 |
| MonoisotopicMass | 248.025563 |
| CLogP | 0.4241 |
| CLogS | -3.302 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 175.3 |
| Relative PSA | 0.47604 |
| PolarSurfaceArea | 118.05 |
| Druglikeness | 2.1547 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]benzoic acid | 2 - 2-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]benzoic acid
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