7-hydroxy-3-(2-nitrophenoxy)chromen-4-one
Formula:C15H9NO6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
7-hydroxy-3-(2-nitrophenoxy)chromen-4-one is a drug-like molecule.
| MolName | 7-hydroxy-3-(2-nitrophenoxy)chromen-4-one |
| MolecularFormula | C15H9NO6 |
| Smiles | [O-][N+](c(cccc1)c1OC1=COc(cc(cc2)O)c2C1=O)=O |
| InChI | InChI=1S/C15H9NO6/c17-9-5-6-10-13(7-9)21-8-14(15(10)18)22-12-4-2-1-3-11(12)16(19)20/h1-8,17H |
| InChIK | PYCLSGKGSDWJOG-UHFFFAOYSA-N |
| TotalMolweight | 299.237 |
| Molweight | 299.237 |
| MonoisotopicMass | 299.042989 |
| CLogP | 1.5874 |
| CLogS | -4.21 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 212 |
| Relative PSA | 0.36113 |
| PolarSurfaceArea | 101.58 |
| Druglikeness | -5.4641 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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