(Z)-3-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
Formula:C15H13N2OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-3-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide is a drug-like molecule.
| MolName | (Z)-3-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide |
| MolecularFormula | C15H13N2OCl |
| Smiles | O=C(/C=C\c(cc1)ccc1Cl)NCc1cnccc1 |
| InChI | InChI=1S/C15H13ClN2O/c16-14-6-3-12(4-7-14)5-8-15(19)18-11-13-2-1-9-17-10-13/h1-10H,11H2,(H,18,19) |
| InChIK | IFTJQWLABHZMTL-UHFFFAOYSA-N |
| TotalMolweight | 272.734 |
| Molweight | 272.734 |
| MonoisotopicMass | 272.07164 |
| CLogP | 2.4508 |
| CLogS | -3.255 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 216.67 |
| Relative PSA | 0.16371 |
| PolarSurfaceArea | 41.99 |
| Druglikeness | 0.16321 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.73684 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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