(4Z)-4-piperidin-1-ylimino-6,7-dihydro-5H-1-benzofuran-3-carboxylic acid
Formula:C14H18N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-4-piperidin-1-ylimino-6,7-dihydro-5H-1-benzofuran-3-carboxylic acid is a drug-like molecule.
| MolName | (4Z)-4-piperidin-1-ylimino-6,7-dihydro-5H-1-benzofuran-3-carboxylic acid |
| MolecularFormula | C14H18N2O3 |
| Smiles | OC(c1coc(CCC2)c1/C2=N\N1CCCCC1)=O |
| InChI | InChI=1S/C14H18N2O3/c17-14(18)10-9-19-12-6-4-5-11(13(10)12)15-16-7-2-1-3-8-16/h9H,1-8H2,(H,17,18) |
| InChIK | CHGWNIGUEHNTMI-UHFFFAOYSA-N |
| TotalMolweight | 262.308 |
| Molweight | 262.308 |
| MonoisotopicMass | 262.131743 |
| CLogP | 2.002 |
| CLogS | -3.364 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 203.4 |
| Relative PSA | 0.27193 |
| PolarSurfaceArea | 66.04 |
| Druglikeness | 1.9423 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52632 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 10 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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