| MolName | 2-[[2-[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]acetyl]amino]acetic acid |
| MolecularFormula | C15H14N2O7 |
| Smiles | OC(CNC(CNC(CC(c(ccc(O)c1)c1O1)=CC1=O)=O)=O)=O |
| InChI | InChI=1S/C15H14N2O7/c18-9-1-2-10-8(4-15(23)24-11(10)5-9)3-12(19)16-6-13(20)17-7-14(21)22/h1-2,4-5,18H,3,6-7H2,(H,16,19)(H,17,20)(H,21,22) |
| InChIK | LKGMMRUCWGWBJJ-UHFFFAOYSA-N |
| TotalMolweight | 334.283 |
| Molweight | 334.283 |
| MonoisotopicMass | 334.080103 |
| CLogP | -1.4246 |
| CLogS | -1.082 |
| H Acceptors | 9 |
| H Donors | 4 |
| TotalSurfaceArea | 242.37 |
| Relative PSA | 0.45913 |
| PolarSurfaceArea | 142.03 |
| Druglikeness | -4.1796 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[[2-[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]acetyl]amino]acetic acid | 2 - 2-[[2-[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]acetyl]amino]acetic acid