4-(4-hydroxyphenyl)-2-nitrophenol
Formula:C12H9NO4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(4-hydroxyphenyl)-2-nitrophenol is a drug-like molecule.
| MolName | 4-(4-hydroxyphenyl)-2-nitrophenol |
| MolecularFormula | C12H9NO4 |
| Smiles | [O-][N+](c(cc(cc1)-c(cc2)ccc2O)c1O)=O |
| InChI | InChI=1S/C12H9NO4/c14-10-4-1-8(2-5-10)9-3-6-12(15)11(7-9)13(16)17/h1-7,14-15H |
| InChIK | RTMAIRQMOJFXRN-UHFFFAOYSA-N |
| TotalMolweight | 231.206 |
| Molweight | 231.206 |
| MonoisotopicMass | 231.053159 |
| CLogP | 1.7058 |
| CLogS | -3.57 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 169.39 |
| Relative PSA | 0.33426 |
| PolarSurfaceArea | 86.28 |
| Druglikeness | -7.3777 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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