2-(7-amino-2-oxo-1H-1,8-naphthyridin-4-yl)acetic acid
Formula:C10H9N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(7-amino-2-oxo-1H-1,8-naphthyridin-4-yl)acetic acid is a drug-like molecule.
| MolName | 2-(7-amino-2-oxo-1H-1,8-naphthyridin-4-yl)acetic acid |
| MolecularFormula | C10H9N3O3 |
| Smiles | Nc1ccc(C(CC(O)=O)=CC(N2)=O)c2n1 |
| InChI | InChI=1S/C10H9N3O3/c11-7-2-1-6-5(4-9(15)16)3-8(14)13-10(6)12-7/h1-3H,4H2,(H,15,16)(H3,11,12,13,14) |
| InChIK | SCRPOFISSCKDFL-UHFFFAOYSA-N |
| TotalMolweight | 219.199 |
| Molweight | 219.199 |
| MonoisotopicMass | 219.064392 |
| CLogP | -0.9424 |
| CLogS | -2.217 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 158.82 |
| Relative PSA | 0.48407 |
| PolarSurfaceArea | 105.31 |
| Druglikeness | 0.30009 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-(7-amino-2-oxo-1H-1,8-naphthyridin-4-yl)acetic acid | 2 - 2-(7-amino-2-oxo-1H-1,8-naphthyridin-4-yl)acetic acid
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