(1Z)-4-chloro-N-[(E)-[(4-chlorophenyl)-cyanomethylidene]amino]benzenecarboximidoyl cyanide
Formula:C16H8N4Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(1Z)-4-chloro-N-[(E)-[(4-chlorophenyl)-cyanomethylidene]amino]benzenecarboximidoyl cyanide is a drug-like molecule.
| MolName | (1Z)-4-chloro-N-[(E)-[(4-chlorophenyl)-cyanomethylidene]amino]benzenecarboximidoyl cyanide |
| MolecularFormula | C16H8N4Cl2 |
| Smiles | N#C/C(/c(cc1)ccc1Cl)=N/N=C(/c(cc1)ccc1Cl)\C#N |
| InChI | InChI=1S/C16H8Cl2N4/c17-13-5-1-11(2-6-13)15(9-19)21-22-16(10-20)12-3-7-14(18)8-4-12/h1-8H |
| InChIK | WKFGRAPGKZQKFO-UHFFFAOYSA-N |
| TotalMolweight | 327.174 |
| Molweight | 327.174 |
| MonoisotopicMass | 326.0126 |
| CLogP | 4.3646 |
| CLogS | -6.62 |
| H Acceptors | 4 |
| TotalSurfaceArea | 253.22 |
| Relative PSA | 0.19801 |
| PolarSurfaceArea | 72.3 |
| Druglikeness | -3.7042 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 4 |
| StereoCon |
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