(E)-3-(4-chloroanilino)prop-2-enenitrile
Formula:C9H7N2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-chloroanilino)prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-3-(4-chloroanilino)prop-2-enenitrile |
| MolecularFormula | C9H7N2Cl |
| Smiles | N#C/C=C/Nc(cc1)ccc1Cl |
| InChI | InChI=1S/C9H7ClN2/c10-8-2-4-9(5-3-8)12-7-1-6-11/h1-5,7,12H |
| InChIK | PJWZNCGWLOGCEK-UHFFFAOYSA-N |
| TotalMolweight | 178.622 |
| Molweight | 178.622 |
| MonoisotopicMass | 178.029775 |
| CLogP | 1.7725 |
| CLogS | -3.354 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 148.35 |
| Relative PSA | 0.16866 |
| PolarSurfaceArea | 35.82 |
| Druglikeness | -4.8799 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.83333 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Symmetricatoms | 2 |
| StereoCon |
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