(1E)-2-cyclopropyl-N-(3,4-dichloroanilino)-2-oxoethanimidoyl cyanide
Formula:C12H9N3OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(1E)-2-cyclopropyl-N-(3,4-dichloroanilino)-2-oxoethanimidoyl cyanide is a drug-like molecule.
| MolName | (1E)-2-cyclopropyl-N-(3,4-dichloroanilino)-2-oxoethanimidoyl cyanide |
| MolecularFormula | C12H9N3OCl2 |
| Smiles | N#C/C(/C(C1CC1)=O)=N\Nc(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C12H9Cl2N3O/c13-9-4-3-8(5-10(9)14)16-17-11(6-15)12(18)7-1-2-7/h3-5,7,16H,1-2H2 |
| InChIK | TWIPWLJATQLORT-UHFFFAOYSA-N |
| TotalMolweight | 282.129 |
| Molweight | 282.129 |
| MonoisotopicMass | 281.012266 |
| CLogP | 3.8037 |
| CLogS | -4.173 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 204.51 |
| Relative PSA | 0.24238 |
| PolarSurfaceArea | 65.25 |
| Druglikeness | -1.1587 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 1 |
| StereoCon |
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1 - (1E)-2-cyclopropyl-N-(3,4-dichloroanilino)-2-oxoethanimidoyl cyanide | 2 - (1E)-2-cyclopropyl-N-(3,4-dichloroanilino)-2-oxoethanimidoyl cyanide
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