(E)-2-cyano-3-(3,5-dibromo-2-hydroxyphenyl)prop-2-enamide
Formula:C10H6N2O2Br2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(E)-2-cyano-3-(3,5-dibromo-2-hydroxyphenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-3-(3,5-dibromo-2-hydroxyphenyl)prop-2-enamide |
| MolecularFormula | C10H6N2O2Br2 |
| Smiles | NC(/C(/C#N)=C/c1cc(Br)cc(Br)c1O)=O |
| InChI | InChI=1S/C10H6Br2N2O2/c11-7-2-5(9(15)8(12)3-7)1-6(4-13)10(14)16/h1-3,15H,(H2,14,16) |
| InChIK | SDNBCCDGYFAFEN-UHFFFAOYSA-N |
| TotalMolweight | 345.978 |
| Molweight | 345.978 |
| MonoisotopicMass | 343.8796 |
| CLogP | 2.0328 |
| CLogS | -3.719 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 189.56 |
| Relative PSA | 0.28999 |
| PolarSurfaceArea | 87.11 |
| Druglikeness | -4.9509 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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