(Z)-2-(2,4-dichlorophenyl)-3-hydroxyprop-2-enenitrile
Formula:C9H5NOCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-2-(2,4-dichlorophenyl)-3-hydroxyprop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-2-(2,4-dichlorophenyl)-3-hydroxyprop-2-enenitrile |
| MolecularFormula | C9H5NOCl2 |
| Smiles | N#C/C(/c(ccc(Cl)c1)c1Cl)=C\O |
| InChI | InChI=1S/C9H5Cl2NO/c10-7-1-2-8(9(11)3-7)6(4-12)5-13/h1-3,5,13H |
| InChIK | JYYKWIXMUMUGGD-UHFFFAOYSA-N |
| TotalMolweight | 214.051 |
| Molweight | 214.051 |
| MonoisotopicMass | 212.974818 |
| CLogP | 2.0529 |
| CLogS | -3.548 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 156.87 |
| Relative PSA | 0.16995 |
| PolarSurfaceArea | 44.02 |
| Druglikeness | -5.3146 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| StereoCon |
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1 - (Z)-2-(2,4-dichlorophenyl)-3-hydroxyprop-2-enenitrile | 2 - (Z)-2-(2,4-dichlorophenyl)-3-hydroxyprop-2-enenitrile
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