(3Z)-3-[(4-chlorophenyl)methoxyimino]propanenitrile
Formula:C10H9N2OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-3-[(4-chlorophenyl)methoxyimino]propanenitrile is a drug-like molecule.
| MolName | (3Z)-3-[(4-chlorophenyl)methoxyimino]propanenitrile |
| MolecularFormula | C10H9N2OCl |
| Smiles | N#CC/C=N\OCc(cc1)ccc1Cl |
| InChI | InChI=1S/C10H9ClN2O/c11-10-4-2-9(3-5-10)8-14-13-7-1-6-12/h2-5,7H,1,8H2 |
| InChIK | WJMWSQDLLCUMRP-UHFFFAOYSA-N |
| TotalMolweight | 208.647 |
| Molweight | 208.647 |
| MonoisotopicMass | 208.04034 |
| CLogP | 2.387 |
| CLogS | -3.548 |
| H Acceptors | 3 |
| TotalSurfaceArea | 172.67 |
| Relative PSA | 0.2031 |
| PolarSurfaceArea | 45.38 |
| Druglikeness | -7.2267 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.85714 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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