2-oxo-1H-benzo[cd]indole-6-carboxylic acid
Formula:C12H7NO3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-oxo-1H-benzo[cd]indole-6-carboxylic acid is a drug-like molecule.
| MolName | 2-oxo-1H-benzo[cd]indole-6-carboxylic acid |
| MolecularFormula | C12H7NO3 |
| Smiles | OC(c(cc1)c(cccc23)c3c1NC2=O)=O |
| InChI | InChI=1S/C12H7NO3/c14-11-8-3-1-2-6-7(12(15)16)4-5-9(13-11)10(6)8/h1-5H,(H,13,14)(H,15,16) |
| InChIK | BTZHDFSXIDMQOH-UHFFFAOYSA-N |
| TotalMolweight | 213.192 |
| Molweight | 213.192 |
| MonoisotopicMass | 213.042594 |
| CLogP | 1.4595 |
| CLogS | -3.661 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 147.67 |
| Relative PSA | 0.34293 |
| PolarSurfaceArea | 66.4 |
| Druglikeness | 0.5901 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 1 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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