2-[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]-2-phenylacetic acid
Formula:C19H15NO6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]-2-phenylacetic acid is a drug-like molecule.
| MolName | 2-[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]-2-phenylacetic acid |
| MolecularFormula | C19H15NO6 |
| Smiles | OC(C(c1ccccc1)NC(CC(c(ccc(O)c1)c1O1)=CC1=O)=O)=O |
| InChI | InChI=1S/C19H15NO6/c21-13-6-7-14-12(9-17(23)26-15(14)10-13)8-16(22)20-18(19(24)25)11-4-2-1-3-5-11/h1-7,9-10,18,21H,8H2,(H,20,22)(H,24,25)/t18-/m1/s1 |
| InChIK | KPGZIEWLHKVVSY-GOSISDBHSA-N |
| TotalMolweight | 353.329 |
| Molweight | 353.329 |
| MonoisotopicMass | 353.089939 |
| CLogP | 0.7902 |
| CLogS | -2.409 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 257.9 |
| Relative PSA | 0.33649 |
| PolarSurfaceArea | 112.93 |
| Druglikeness | -5.2661 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
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1 - 2-[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]-2-phenylacetic acid | 2 - 2-[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]-2-phenylacetic acid
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