(E)-1-(2-hydroxy-5-nitrophenyl)-3-pyridin-3-ylprop-2-en-1-one
Formula:C14H10N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(2-hydroxy-5-nitrophenyl)-3-pyridin-3-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(2-hydroxy-5-nitrophenyl)-3-pyridin-3-ylprop-2-en-1-one |
| MolecularFormula | C14H10N2O4 |
| Smiles | [O-][N+](c(cc1)cc(C(/C=C/c2cnccc2)=O)c1O)=O |
| InChI | InChI=1S/C14H10N2O4/c17-13(5-3-10-2-1-7-15-9-10)12-8-11(16(19)20)4-6-14(12)18/h1-9,18H |
| InChIK | BMNRKMCYYKJHBM-UHFFFAOYSA-N |
| TotalMolweight | 270.243 |
| Molweight | 270.243 |
| MonoisotopicMass | 270.064058 |
| CLogP | 1.0356 |
| CLogS | -3.209 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 206.05 |
| Relative PSA | 0.32774 |
| PolarSurfaceArea | 96.01 |
| Druglikeness | -4.8193 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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