2-benzamido-4-(4-phenylphenyl)thiophene-3-carboxylic acid
Formula:C24H17NO3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-benzamido-4-(4-phenylphenyl)thiophene-3-carboxylic acid is not a drug-like molecule.
| MolName | 2-benzamido-4-(4-phenylphenyl)thiophene-3-carboxylic acid |
| MolecularFormula | C24H17NO3S |
| Smiles | OC(c1c(NC(c2ccccc2)=O)scc1-c(cc1)ccc1-c1ccccc1)=O |
| InChI | InChI=1S/C24H17NO3S/c26-22(19-9-5-2-6-10-19)25-23-21(24(27)28)20(15-29-23)18-13-11-17(12-14-18)16-7-3-1-4-8-16/h1-15H,(H,25,26)(H,27,28) |
| InChIK | CMTIXNLBDYQAID-UHFFFAOYSA-N |
| TotalMolweight | 399.469 |
| Molweight | 399.469 |
| MonoisotopicMass | 399.092914 |
| CLogP | 5.5846 |
| CLogS | -7.363 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 301.79 |
| Relative PSA | 0.23526 |
| PolarSurfaceArea | 94.64 |
| Druglikeness | 2.7143 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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