(E)-2-cyano-3-(2-hydroxy-3,5-dinitrophenyl)prop-2-enamide
Formula:C10H6N4O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(E)-2-cyano-3-(2-hydroxy-3,5-dinitrophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-3-(2-hydroxy-3,5-dinitrophenyl)prop-2-enamide |
| MolecularFormula | C10H6N4O6 |
| Smiles | NC(/C(/C#N)=C/c1cc([N+]([O-])=O)cc([N+]([O-])=O)c1O)=O |
| InChI | InChI=1S/C10H6N4O6/c11-4-6(10(12)16)1-5-2-7(13(17)18)3-8(9(5)15)14(19)20/h1-3,15H,(H2,12,16) |
| InChIK | MNGJVNOOHCIHSY-UHFFFAOYSA-N |
| TotalMolweight | 278.18 |
| Molweight | 278.18 |
| MonoisotopicMass | 278.028736 |
| CLogP | -1.2608 |
| CLogS | -2.971 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 199.64 |
| Relative PSA | 0.58009 |
| PolarSurfaceArea | 178.75 |
| Druglikeness | -8.2337 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | twice activated DB; aromatic nitro |
| Shape Index | 0.45 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Amides | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - (E)-2-cyano-3-(2-hydroxy-3,5-dinitrophenyl)prop-2-enamide | 2 - (E)-2-cyano-3-(2-hydroxy-3,5-dinitrophenyl)prop-2-enamide
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