[(E)-(1-amino-2-chloroethylidene)amino] N-(2,6-dichlorophenyl)carbamate
Formula:C9H8N3O2Cl3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[(E)-(1-amino-2-chloroethylidene)amino] N-(2,6-dichlorophenyl)carbamate is a drug-like molecule.
| MolName | [(E)-(1-amino-2-chloroethylidene)amino] N-(2,6-dichlorophenyl)carbamate |
| MolecularFormula | C9H8N3O2Cl3 |
| Smiles | N/C(/CCl)=N/OC(Nc(c(Cl)ccc1)c1Cl)=O |
| InChI | InChI=1S/C9H8Cl3N3O2/c10-4-7(13)15-17-9(16)14-8-5(11)2-1-3-6(8)12/h1-3H,4H2,(H2,13,15)(H,14,16) |
| InChIK | MRKMYMBQBLKQNK-UHFFFAOYSA-N |
| TotalMolweight | 296.541 |
| Molweight | 296.541 |
| MonoisotopicMass | 294.968208 |
| CLogP | 3.0635 |
| CLogS | -4.755 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 203.98 |
| Relative PSA | 0.30042 |
| PolarSurfaceArea | 76.71 |
| Druglikeness | -5.8148 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - [(E)-(1-amino-2-chloroethylidene)amino] N-(2,6-dichlorophenyl)carbamate | 2 - [(E)-(1-amino-2-chloroethylidene)amino] N-(2,6-dichlorophenyl)carbamate
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