2,5-dihydroxy-4-(3-nitrobenzoyl)benzoic acid
Formula:C14H9NO7
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,5-dihydroxy-4-(3-nitrobenzoyl)benzoic acid is a drug-like molecule.
| MolName | 2,5-dihydroxy-4-(3-nitrobenzoyl)benzoic acid |
| MolecularFormula | C14H9NO7 |
| Smiles | [O-][N+](c1cc(C(c(cc(c(C(O)=O)c2)O)c2O)=O)ccc1)=O |
| InChI | InChI=1S/C14H9NO7/c16-11-6-10(14(19)20)12(17)5-9(11)13(18)7-2-1-3-8(4-7)15(21)22/h1-6,16-17H,(H,19,20) |
| InChIK | FNKSYGSRRIBAEH-UHFFFAOYSA-N |
| TotalMolweight | 303.225 |
| Molweight | 303.225 |
| MonoisotopicMass | 303.037904 |
| CLogP | 0.6617 |
| CLogS | -3.597 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 211.24 |
| Relative PSA | 0.45351 |
| PolarSurfaceArea | 140.65 |
| Druglikeness | -6.2856 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| AcidicOxygens | 2 |
| StereoCon |
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