(E)-3-(2-chlorophenyl)-2-phenyl-N-(pyridin-3-ylmethyl)prop-2-enamide
Formula:C21H17N2OCl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(E)-3-(2-chlorophenyl)-2-phenyl-N-(pyridin-3-ylmethyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(2-chlorophenyl)-2-phenyl-N-(pyridin-3-ylmethyl)prop-2-enamide |
| MolecularFormula | C21H17N2OCl |
| Smiles | O=C(/C(/c1ccccc1)=C/c(cccc1)c1Cl)NCc1cnccc1 |
| InChI | InChI=1S/C21H17ClN2O/c22-20-11-5-4-10-18(20)13-19(17-8-2-1-3-9-17)21(25)24-15-16-7-6-12-23-14-16/h1-14H,15H2,(H,24,25) |
| InChIK | ZJJKVLGLXSAALI-UHFFFAOYSA-N |
| TotalMolweight | 348.832 |
| Molweight | 348.832 |
| MonoisotopicMass | 348.10294 |
| CLogP | 3.7876 |
| CLogS | -4.212 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 274.64 |
| Relative PSA | 0.12915 |
| PolarSurfaceArea | 41.99 |
| Druglikeness | 3.1807 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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