(E)-N-(2,4-dinitrophenyl)-3-(furan-2-yl)prop-2-enamide
Formula:C13H9N3O6
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-N-(2,4-dinitrophenyl)-3-(furan-2-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(2,4-dinitrophenyl)-3-(furan-2-yl)prop-2-enamide |
| MolecularFormula | C13H9N3O6 |
| Smiles | [O-][N+](c(cc1)cc([N+]([O-])=O)c1NC(/C=C/c1ccco1)=O)=O |
| InChI | InChI=1S/C13H9N3O6/c17-13(6-4-10-2-1-7-22-10)14-11-5-3-9(15(18)19)8-12(11)16(20)21/h1-8H,(H,14,17) |
| InChIK | OLKUYDJXXKEPCW-UHFFFAOYSA-N |
| TotalMolweight | 303.229 |
| Molweight | 303.229 |
| MonoisotopicMass | 303.049137 |
| CLogP | 0.4818 |
| CLogS | -4.1 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 225.76 |
| Relative PSA | 0.44051 |
| PolarSurfaceArea | 133.88 |
| Druglikeness | -5.2638 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Amides | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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