(E)-3-(4-bromophenyl)-N-(2-chloropyridin-3-yl)prop-2-enamide
Formula:C14H10N2OBrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-bromophenyl)-N-(2-chloropyridin-3-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(4-bromophenyl)-N-(2-chloropyridin-3-yl)prop-2-enamide |
| MolecularFormula | C14H10N2OBrCl |
| Smiles | O=C(/C=C/c(cc1)ccc1Br)Nc(cccn1)c1Cl |
| InChI | InChI=1S/C14H10BrClN2O/c15-11-6-3-10(4-7-11)5-8-13(19)18-12-2-1-9-17-14(12)16/h1-9H,(H,18,19) |
| InChIK | KOZPBYHMYCHTRN-UHFFFAOYSA-N |
| TotalMolweight | 337.603 |
| Molweight | 337.603 |
| MonoisotopicMass | 335.966501 |
| CLogP | 3.564 |
| CLogS | -4.036 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 221.54 |
| Relative PSA | 0.16011 |
| PolarSurfaceArea | 41.99 |
| Druglikeness | -2.1529 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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