(Z)-3-(2-amino-4-chlorophenoxy)prop-2-enenitrile
Formula:C9H7N2OCl
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
(Z)-3-(2-amino-4-chlorophenoxy)prop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-3-(2-amino-4-chlorophenoxy)prop-2-enenitrile |
| MolecularFormula | C9H7N2OCl |
| Smiles | Nc(cc(cc1)Cl)c1O/C=C\C#N |
| InChI | InChI=1S/C9H7ClN2O/c10-7-2-3-9(8(12)6-7)13-5-1-4-11/h1-3,5-6H,12H2 |
| InChIK | XKTKHUXAWUXQOJ-UHFFFAOYSA-N |
| TotalMolweight | 194.621 |
| Molweight | 194.621 |
| MonoisotopicMass | 194.02469 |
| CLogP | 1.3782 |
| CLogS | -3.388 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 155.41 |
| Relative PSA | 0.24986 |
| PolarSurfaceArea | 59.04 |
| Druglikeness | -6.0729 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.76923 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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