2-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]benzoic acid
Formula:C16H11NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]benzoic acid is a drug-like molecule.
| MolName | 2-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]benzoic acid |
| MolecularFormula | C16H11NO3 |
| Smiles | OC(c1c(/C=C(\c(cccc2)c2N2)/C2=O)cccc1)=O |
| InChI | InChI=1S/C16H11NO3/c18-15-13(12-7-3-4-8-14(12)17-15)9-10-5-1-2-6-11(10)16(19)20/h1-9H,(H,17,18)(H,19,20) |
| InChIK | DNKANOCACLAHKU-UHFFFAOYSA-N |
| TotalMolweight | 265.267 |
| Molweight | 265.267 |
| MonoisotopicMass | 265.073894 |
| CLogP | 1.7508 |
| CLogS | -3.382 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 197.54 |
| Relative PSA | 0.25635 |
| PolarSurfaceArea | 66.4 |
| Druglikeness | 2.5629 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]benzoic acid | 2 - 2-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]benzoic acid
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