7-hydroxy-4-(4-nitrophenyl)chromen-2-one
Formula:C15H9NO5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
7-hydroxy-4-(4-nitrophenyl)chromen-2-one is a drug-like molecule.
| MolName | 7-hydroxy-4-(4-nitrophenyl)chromen-2-one |
| MolecularFormula | C15H9NO5 |
| Smiles | [O-][N+](c(cc1)ccc1C(c(ccc(O)c1)c1O1)=CC1=O)=O |
| InChI | InChI=1S/C15H9NO5/c17-11-5-6-12-13(8-15(18)21-14(12)7-11)9-1-3-10(4-2-9)16(19)20/h1-8,17H |
| InChIK | RDKUUACFEGXQFP-UHFFFAOYSA-N |
| TotalMolweight | 283.238 |
| Molweight | 283.238 |
| MonoisotopicMass | 283.048074 |
| CLogP | 1.7282 |
| CLogS | -3.739 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 202 |
| Relative PSA | 0.3295 |
| PolarSurfaceArea | 92.35 |
| Druglikeness | -7.6915 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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