[(E)-[1-amino-2-(2,4-dichlorophenoxy)ethylidene]amino] N-(4-chlorophenyl)carbamate
Formula:C15H12N3O3Cl3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[(E)-[1-amino-2-(2,4-dichlorophenoxy)ethylidene]amino] N-(4-chlorophenyl)carbamate is a drug-like molecule.
| MolName | [(E)-[1-amino-2-(2,4-dichlorophenoxy)ethylidene]amino] N-(4-chlorophenyl)carbamate |
| MolecularFormula | C15H12N3O3Cl3 |
| Smiles | N/C(/COc(ccc(Cl)c1)c1Cl)=N/OC(Nc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C15H12Cl3N3O3/c16-9-1-4-11(5-2-9)20-15(22)24-21-14(19)8-23-13-6-3-10(17)7-12(13)18/h1-7H,8H2,(H2,19,21)(H,20,22) |
| InChIK | JRRFJAOZKUYNOF-UHFFFAOYSA-N |
| TotalMolweight | 388.637 |
| Molweight | 388.637 |
| MonoisotopicMass | 386.994423 |
| CLogP | 4.4589 |
| CLogS | -6.04 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 273.74 |
| Relative PSA | 0.26039 |
| PolarSurfaceArea | 85.94 |
| Druglikeness | -5.8215 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - [(E)-[1-amino-2-(2,4-dichlorophenoxy)ethylidene]amino] N-(4-chlorophenyl)carbamate | 2 - [(E)-[1-amino-2-(2,4-dichlorophenoxy)ethylidene]amino] N-(4-chlorophenyl)carbamate
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