[(E)-[amino-(4-chlorophenyl)methylidene]amino] N-(1,2,2-trichloroethenyl)carbamate
Formula:C10H7N3O2Cl4
Mutagenic:high
Tumorigenic:low
Reproductive Effective:high
[(E)-[amino-(4-chlorophenyl)methylidene]amino] N-(1,2,2-trichloroethenyl)carbamate is a drug-like molecule.
| MolName | [(E)-[amino-(4-chlorophenyl)methylidene]amino] N-(1,2,2-trichloroethenyl)carbamate |
| MolecularFormula | C10H7N3O2Cl4 |
| Smiles | N/C(/c(cc1)ccc1Cl)=N/OC(NC(Cl)=C(Cl)Cl)=O |
| InChI | InChI=1S/C10H7Cl4N3O2/c11-6-3-1-5(2-4-6)9(15)17-19-10(18)16-8(14)7(12)13/h1-4H,(H2,15,17)(H,16,18) |
| InChIK | HFGBFGRQRYQZES-UHFFFAOYSA-N |
| TotalMolweight | 342.997 |
| Molweight | 342.997 |
| MonoisotopicMass | 340.929235 |
| CLogP | 4.6527 |
| CLogS | -5.769 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 228.56 |
| Relative PSA | 0.26811 |
| PolarSurfaceArea | 76.71 |
| Druglikeness | -5.247 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | 1,1-dihalo-alkene; 1,2-dihalo-alkene |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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