7-fluoro-1-(4-fluorophenyl)-4-oxo-2-piperazin-2-yl-1,8-naphthyridine-3-carboxylic acid
Formula:C19H16N4O3F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
7-fluoro-1-(4-fluorophenyl)-4-oxo-2-piperazin-2-yl-1,8-naphthyridine-3-carboxylic acid is a drug-like molecule.
| MolName | 7-fluoro-1-(4-fluorophenyl)-4-oxo-2-piperazin-2-yl-1,8-naphthyridine-3-carboxylic acid |
| MolecularFormula | C19H16N4O3F2 |
| Smiles | OC(C1=C(C2NCCNC2)N(c(cc2)ccc2F)c(nc(cc2)F)c2C1=O)=O |
| InChI | InChI=1S/C19H16F2N4O3/c20-10-1-3-11(4-2-10)25-16(13-9-22-7-8-23-13)15(19(27)28)17(26)12-5-6-14(21)24-18(12)25/h1-6,13,22-23H,7-9H2,(H,27,28)/t13-/m0/s1 |
| InChIK | MWAHWQYPNWIBOC-ZDUSSCGKSA-N |
| TotalMolweight | 386.357 |
| Molweight | 386.357 |
| MonoisotopicMass | 386.119047 |
| CLogP | -2.5722 |
| CLogS | -4.928 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 269.25 |
| Relative PSA | 0.28457 |
| PolarSurfaceArea | 94.56 |
| Druglikeness | 1.3913 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.39286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amines | 2 |
| AlkylAmines | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
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1 - 7-fluoro-1-(4-fluorophenyl)-4-oxo-2-piperazin-2-yl-1,8-naphthyridine-3-carboxylic acid | 2 - 7-fluoro-1-(4-fluorophenyl)-4-oxo-2-piperazin-2-yl-1,8-naphthyridine-3-carboxylic acid
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