(E)-N-(2-bicyclo[2.2.1]heptanyl)-3-(4-chlorophenyl)prop-2-enamide
Formula:C16H18NOCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(2-bicyclo[2.2.1]heptanyl)-3-(4-chlorophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(2-bicyclo[2.2.1]heptanyl)-3-(4-chlorophenyl)prop-2-enamide |
| MolecularFormula | C16H18NOCl |
| Smiles | O=C(/C=C/c(cc1)ccc1Cl)NC1C(CC2)CC2C1 |
| InChI | InChI=1S/C16H18ClNO/c17-14-6-2-11(3-7-14)4-8-16(19)18-15-10-12-1-5-13(15)9-12/h2-4,6-8,12-13,15H,1,5,9-10H2,(H,18,19) |
| InChIK | IZDKSFJXJNRJJR-UHFFFAOYSA-N |
| TotalMolweight | 275.778 |
| Molweight | 275.778 |
| MonoisotopicMass | 275.107691 |
| CLogP | 3.4927 |
| CLogS | -4.437 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 209.93 |
| Relative PSA | 0.11671 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | 0.1805 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - (E)-N-(2-bicyclo[2.2.1]heptanyl)-3-(4-chlorophenyl)prop-2-enamide | 2 - (E)-N-(2-bicyclo[2.2.1]heptanyl)-3-(4-chlorophenyl)prop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off