(1E)-N-(2-chloroanilino)-2-cyclopropyl-2-oxoethanimidoyl cyanide
Formula:C12H10N3OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1E)-N-(2-chloroanilino)-2-cyclopropyl-2-oxoethanimidoyl cyanide is a drug-like molecule.
| MolName | (1E)-N-(2-chloroanilino)-2-cyclopropyl-2-oxoethanimidoyl cyanide |
| MolecularFormula | C12H10N3OCl |
| Smiles | N#C/C(/C(C1CC1)=O)=N\Nc(cccc1)c1Cl |
| InChI | InChI=1S/C12H10ClN3O/c13-9-3-1-2-4-10(9)15-16-11(7-14)12(17)8-5-6-8/h1-4,8,15H,5-6H2 |
| InChIK | DGLDBWWVQLBJAE-UHFFFAOYSA-N |
| TotalMolweight | 247.684 |
| Molweight | 247.684 |
| MonoisotopicMass | 247.051239 |
| CLogP | 3.1977 |
| CLogS | -3.437 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 189.09 |
| Relative PSA | 0.26215 |
| PolarSurfaceArea | 65.25 |
| Druglikeness | -1.1587 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 1 |
| StereoCon |
Click to Load Molecule:
1 - (1E)-N-(2-chloroanilino)-2-cyclopropyl-2-oxoethanimidoyl cyanide | 2 - (1E)-N-(2-chloroanilino)-2-cyclopropyl-2-oxoethanimidoyl cyanide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off