(Z)-2-(2-nitrophenyl)-3-pyridin-3-ylprop-2-enoic acid
Formula:C14H10N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-2-(2-nitrophenyl)-3-pyridin-3-ylprop-2-enoic acid is a drug-like molecule.
| MolName | (Z)-2-(2-nitrophenyl)-3-pyridin-3-ylprop-2-enoic acid |
| MolecularFormula | C14H10N2O4 |
| Smiles | [O-][N+](c(cccc1)c1/C(/C(O)=O)=C/c1cnccc1)=O |
| InChI | InChI=1S/C14H10N2O4/c17-14(18)12(8-10-4-3-7-15-9-10)11-5-1-2-6-13(11)16(19)20/h1-9H,(H,17,18) |
| InChIK | HXNNIUXUWWDGKO-UHFFFAOYSA-N |
| TotalMolweight | 270.243 |
| Molweight | 270.243 |
| MonoisotopicMass | 270.064058 |
| CLogP | 0.8882 |
| CLogS | -2.621 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 204.26 |
| Relative PSA | 0.33061 |
| PolarSurfaceArea | 96.01 |
| Druglikeness | -4.5997 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.5 |
| 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 | 2 |
| StereoCon |
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