(2E)-2-cyclopent-2-en-1-ylidenebutanedinitrile
Formula:C9H8N2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-2-cyclopent-2-en-1-ylidenebutanedinitrile is a drug-like molecule.
| MolName | (2E)-2-cyclopent-2-en-1-ylidenebutanedinitrile |
| MolecularFormula | C9H8N2 |
| Smiles | N#CC/C(/C#N)=C1\C=CCC1 |
| InChI | InChI=1S/C9H8N2/c10-6-5-9(7-11)8-3-1-2-4-8/h1,3H,2,4-5H2 |
| InChIK | WTRWLAGGIWBMFF-UHFFFAOYSA-N |
| TotalMolweight | 144.177 |
| Molweight | 144.177 |
| MonoisotopicMass | 144.068748 |
| CLogP | 1.6174 |
| CLogS | -2.508 |
| H Acceptors | 2 |
| TotalSurfaceArea | 134.12 |
| Relative PSA | 0.20221 |
| PolarSurfaceArea | 47.58 |
| Druglikeness | -11.221 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 11 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 3 |
| StereoCon |
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1 - (2E)-2-cyclopent-2-en-1-ylidenebutanedinitrile | 2 - (2E)-2-cyclopent-2-en-1-ylidenebutanedinitrile
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