(7-hydroxy-2-oxochromen-4-yl)methyl 2-chloropyridine-3-carboxylate
Formula:C16H10NO5Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(7-hydroxy-2-oxochromen-4-yl)methyl 2-chloropyridine-3-carboxylate is a drug-like molecule.
| MolName | (7-hydroxy-2-oxochromen-4-yl)methyl 2-chloropyridine-3-carboxylate |
| MolecularFormula | C16H10NO5Cl |
| Smiles | Oc(cc1)cc(O2)c1C(COC(c1cccnc1Cl)=O)=CC2=O |
| InChI | InChI=1S/C16H10ClNO5/c17-15-12(2-1-5-18-15)16(21)22-8-9-6-14(20)23-13-7-10(19)3-4-11(9)13/h1-7,19H,8H2 |
| InChIK | CEBKSUSKWPFJIB-UHFFFAOYSA-N |
| TotalMolweight | 331.71 |
| Molweight | 331.71 |
| MonoisotopicMass | 331.024751 |
| CLogP | 1.9341 |
| CLogS | -2.58 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 234.02 |
| Relative PSA | 0.29976 |
| PolarSurfaceArea | 85.72 |
| Druglikeness | -2.2915 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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