(E)-3-(4-bromophenyl)prop-2-enenitrile
Formula:C9H6NBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-bromophenyl)prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-3-(4-bromophenyl)prop-2-enenitrile |
| MolecularFormula | C9H6NBr |
| Smiles | N#C/C=C/c(cc1)ccc1Br |
| InChI | InChI=1S/C9H6BrN/c10-9-5-3-8(4-6-9)2-1-7-11/h1-6H |
| InChIK | LSLREZDNFXMUJH-UHFFFAOYSA-N |
| TotalMolweight | 208.058 |
| Molweight | 208.058 |
| MonoisotopicMass | 206.96836 |
| CLogP | 2.721 |
| CLogS | -3.506 |
| H Acceptors | 1 |
| TotalSurfaceArea | 140.1 |
| Relative PSA | 0.096788 |
| PolarSurfaceArea | 23.79 |
| Druglikeness | -7.4969 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.81818 |
| Fragments | 1 |
| Non HAtoms | 11 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Symmetricatoms | 2 |
| StereoCon |
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