(1E)-2-(2-chlorophenyl)-N-(4-nitroanilino)-2-oxoethanimidoyl cyanide
Formula:C15H9N4O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1E)-2-(2-chlorophenyl)-N-(4-nitroanilino)-2-oxoethanimidoyl cyanide is a drug-like molecule.
| MolName | (1E)-2-(2-chlorophenyl)-N-(4-nitroanilino)-2-oxoethanimidoyl cyanide |
| MolecularFormula | C15H9N4O3Cl |
| Smiles | N#C/C(/C(c(cccc1)c1Cl)=O)=N\Nc(cc1)ccc1[N+]([O-])=O |
| InChI | InChI=1S/C15H9ClN4O3/c16-13-4-2-1-3-12(13)15(21)14(9-17)19-18-10-5-7-11(8-6-10)20(22)23/h1-8,18H |
| InChIK | SAWHPADPYSZDPG-UHFFFAOYSA-N |
| TotalMolweight | 328.714 |
| Molweight | 328.714 |
| MonoisotopicMass | 328.036318 |
| CLogP | 3.1102 |
| CLogS | -4.775 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 246 |
| Relative PSA | 0.32516 |
| PolarSurfaceArea | 111.07 |
| Druglikeness | -7.0862 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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