2-[(Z)-anthracen-9-ylmethylideneamino]oxyacetic acid
Formula:C17H13NO3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-[(Z)-anthracen-9-ylmethylideneamino]oxyacetic acid is a drug-like molecule.
| MolName | 2-[(Z)-anthracen-9-ylmethylideneamino]oxyacetic acid |
| MolecularFormula | C17H13NO3 |
| Smiles | OC(CO/N=C\c1c(cccc2)c2cc2ccccc12)=O |
| InChI | InChI=1S/C17H13NO3/c19-17(20)11-21-18-10-16-14-7-3-1-5-12(14)9-13-6-2-4-8-15(13)16/h1-10H,11H2,(H,19,20) |
| InChIK | JWNOUEKJFGTGHW-UHFFFAOYSA-N |
| TotalMolweight | 279.294 |
| Molweight | 279.294 |
| MonoisotopicMass | 279.089544 |
| CLogP | 3.9364 |
| CLogS | -5.306 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 215.08 |
| Relative PSA | 0.22155 |
| PolarSurfaceArea | 58.89 |
| Druglikeness | 0.49861 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| AcidicOxygens | 1 |
| StereoCon |
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