(E)-3-hydroxyprop-2-enenitrile
Formula:C3H3NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-hydroxyprop-2-enenitrile is a drug-like molecule.
| MolName | (E)-3-hydroxyprop-2-enenitrile |
| MolecularFormula | C3H3NO |
| Smiles | N#C/C=C/O |
| InChI | InChI=1S/C3H3NO/c4-2-1-3-5/h1,3,5H |
| InChIK | VLQQXSKNYWXJKT-UHFFFAOYSA-N |
| TotalMolweight | 69.0628 |
| Molweight | 69.0628 |
| MonoisotopicMass | 69.021464 |
| CLogP | -0.4959 |
| CLogS | -1.119 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 68.06 |
| Relative PSA | 0.39171 |
| PolarSurfaceArea | 44.02 |
| Druglikeness | -5.768 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 1 |
| Fragments | 1 |
| Non HAtoms | 5 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Sp3Atoms | 1 |
| StereoCon |
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