(E)-3-(5-bromo-2-hydroxyphenyl)-2-cyanoprop-2-enamide
Formula:C10H7N2O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(E)-3-(5-bromo-2-hydroxyphenyl)-2-cyanoprop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(5-bromo-2-hydroxyphenyl)-2-cyanoprop-2-enamide |
| MolecularFormula | C10H7N2O2Br |
| Smiles | NC(/C(/C#N)=C/c(cc(cc1)Br)c1O)=O |
| InChI | InChI=1S/C10H7BrN2O2/c11-8-1-2-9(14)6(4-8)3-7(5-12)10(13)15/h1-4,14H,(H2,13,15) |
| InChIK | NOYBNDHQAHIVBC-UHFFFAOYSA-N |
| TotalMolweight | 267.082 |
| Molweight | 267.082 |
| MonoisotopicMass | 265.969089 |
| CLogP | 1.3076 |
| CLogS | -2.885 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 170.93 |
| Relative PSA | 0.32159 |
| PolarSurfaceArea | 87.11 |
| Druglikeness | -4.9509 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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1 - (E)-3-(5-bromo-2-hydroxyphenyl)-2-cyanoprop-2-enamide | 2 - (E)-3-(5-bromo-2-hydroxyphenyl)-2-cyanoprop-2-enamide
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