4-oxo-4-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]butanoic acid
Formula:C19H16N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-oxo-4-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]butanoic acid is a drug-like molecule.
| MolName | 4-oxo-4-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]butanoic acid |
| MolecularFormula | C19H16N2O3 |
| Smiles | OC(CCC(n1c(cccc2)c2nc1/C=C/c1ccccc1)=O)=O |
| InChI | InChI=1S/C19H16N2O3/c22-18(12-13-19(23)24)21-16-9-5-4-8-15(16)20-17(21)11-10-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,23,24) |
| InChIK | KLFQWNMMRZSURD-UHFFFAOYSA-N |
| TotalMolweight | 320.347 |
| Molweight | 320.347 |
| MonoisotopicMass | 320.116093 |
| CLogP | 3.1502 |
| CLogS | -3.345 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 251.45 |
| Relative PSA | 0.22676 |
| PolarSurfaceArea | 72.19 |
| Druglikeness | 0.63103 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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