(2E)-2-prop-2-enylhexa-2,5-dienenitrile
Formula:C9H11N
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-2-prop-2-enylhexa-2,5-dienenitrile is a drug-like molecule.
| MolName | (2E)-2-prop-2-enylhexa-2,5-dienenitrile |
| MolecularFormula | C9H11N |
| Smiles | C=CC/C=C(\CC=C)/C#N |
| InChI | InChI=1S/C9H11N/c1-3-5-7-9(8-10)6-4-2/h3-4,7H,1-2,5-6H2 |
| InChIK | VLSRAONWAWHGLO-UHFFFAOYSA-N |
| TotalMolweight | 133.193 |
| Molweight | 133.193 |
| MonoisotopicMass | 133.089149 |
| CLogP | 2.9324 |
| CLogS | -2.526 |
| H Acceptors | 1 |
| TotalSurfaceArea | 136.52 |
| Relative PSA | 0.099326 |
| PolarSurfaceArea | 23.79 |
| Druglikeness | -7.2234 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.8 |
| Fragments | 1 |
| Non HAtoms | 10 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 4 |
| Sp3Atoms | 2 |
| StereoCon |
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1 - (2E)-2-prop-2-enylhexa-2,5-dienenitrile | 2 - (2E)-2-prop-2-enylhexa-2,5-dienenitrile
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