(Z)-4-(4-hydroxy-3-nitroanilino)-4-oxobut-2-enoic acid
Formula:C10H8N2O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-4-(4-hydroxy-3-nitroanilino)-4-oxobut-2-enoic acid is a drug-like molecule.
| MolName | (Z)-4-(4-hydroxy-3-nitroanilino)-4-oxobut-2-enoic acid |
| MolecularFormula | C10H8N2O6 |
| Smiles | [O-][N+](c(cc(cc1)NC(/C=C\C(O)=O)=O)c1O)=O |
| InChI | InChI=1S/C10H8N2O6/c13-8-2-1-6(5-7(8)12(17)18)11-9(14)3-4-10(15)16/h1-5,13H,(H,11,14)(H,15,16) |
| InChIK | JRMQUDSCPXWMBC-UHFFFAOYSA-N |
| TotalMolweight | 252.182 |
| Molweight | 252.182 |
| MonoisotopicMass | 252.038238 |
| CLogP | -0.5237 |
| CLogS | -1.909 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 183.09 |
| Relative PSA | 0.51428 |
| PolarSurfaceArea | 132.45 |
| Druglikeness | -3.9238 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Amides | 1 |
| AcidicOxygens | 2 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-4-(4-hydroxy-3-nitroanilino)-4-oxobut-2-enoic acid | 2 - (Z)-4-(4-hydroxy-3-nitroanilino)-4-oxobut-2-enoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off