(E)-2-cyano-3-(4-hydroxyphenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
Formula:C16H13N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(E)-2-cyano-3-(4-hydroxyphenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-3-(4-hydroxyphenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide |
| MolecularFormula | C16H13N3O2 |
| Smiles | N#C/C(/C(NCc1cnccc1)=O)=C\c(cc1)ccc1O |
| InChI | InChI=1S/C16H13N3O2/c17-9-14(8-12-3-5-15(20)6-4-12)16(21)19-11-13-2-1-7-18-10-13/h1-8,10,20H,11H2,(H,19,21) |
| InChIK | MJEJWTKKDLIZTF-UHFFFAOYSA-N |
| TotalMolweight | 279.298 |
| Molweight | 279.298 |
| MonoisotopicMass | 279.100777 |
| CLogP | 1.3511 |
| CLogS | -2.495 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 227.52 |
| Relative PSA | 0.27307 |
| PolarSurfaceArea | 86.01 |
| Druglikeness | -1.2995 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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