2-[4-[(Z)-morpholin-4-yliminomethyl]phenoxy]acetic acid
Formula:C13H16N2O4
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-[4-[(Z)-morpholin-4-yliminomethyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[4-[(Z)-morpholin-4-yliminomethyl]phenoxy]acetic acid |
| MolecularFormula | C13H16N2O4 |
| Smiles | OC(COc1ccc(/C=N\N2CCOCC2)cc1)=O |
| InChI | InChI=1S/C13H16N2O4/c16-13(17)10-19-12-3-1-11(2-4-12)9-14-15-5-7-18-8-6-15/h1-4,9H,5-8,10H2,(H,16,17) |
| InChIK | KGODGAIFCOIFNH-UHFFFAOYSA-N |
| TotalMolweight | 264.28 |
| Molweight | 264.28 |
| MonoisotopicMass | 264.111008 |
| CLogP | 0.5515 |
| CLogS | -1.624 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 207.72 |
| Relative PSA | 0.29463 |
| PolarSurfaceArea | 71.36 |
| Druglikeness | 2.9935 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.73684 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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