(E)-N-(2-bicyclo[2.2.1]heptanyl)-3-(4-nitrophenyl)prop-2-enamide
Formula:C16H18N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(2-bicyclo[2.2.1]heptanyl)-3-(4-nitrophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(2-bicyclo[2.2.1]heptanyl)-3-(4-nitrophenyl)prop-2-enamide |
| MolecularFormula | C16H18N2O3 |
| Smiles | [O-][N+](c1ccc(/C=C/C(NC2C(CC3)CC3C2)=O)cc1)=O |
| InChI | InChI=1S/C16H18N2O3/c19-16(17-15-10-12-1-5-13(15)9-12)8-4-11-2-6-14(7-3-11)18(20)21/h2-4,6-8,12-13,15H,1,5,9-10H2,(H,17,19) |
| InChIK | VFXUIIYBPXCKII-UHFFFAOYSA-N |
| TotalMolweight | 286.33 |
| Molweight | 286.33 |
| MonoisotopicMass | 286.131743 |
| CLogP | 1.9651 |
| CLogS | -4.161 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 218.18 |
| Relative PSA | 0.25172 |
| PolarSurfaceArea | 74.92 |
| Druglikeness | -4.9441 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - (E)-N-(2-bicyclo[2.2.1]heptanyl)-3-(4-nitrophenyl)prop-2-enamide | 2 - (E)-N-(2-bicyclo[2.2.1]heptanyl)-3-(4-nitrophenyl)prop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off