[(E)-[amino-(2,4-difluorophenyl)methylidene]amino] N-(2,6-dichlorobenzoyl)carbamate
Formula:C15H9N3O3Cl2F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino-(2,4-difluorophenyl)methylidene]amino] N-(2,6-dichlorobenzoyl)carbamate is a drug-like molecule.
| MolName | [(E)-[amino-(2,4-difluorophenyl)methylidene]amino] N-(2,6-dichlorobenzoyl)carbamate |
| MolecularFormula | C15H9N3O3Cl2F2 |
| Smiles | N/C(/c(ccc(F)c1)c1F)=N/OC(NC(c(c(Cl)ccc1)c1Cl)=O)=O |
| InChI | InChI=1S/C15H9Cl2F2N3O3/c16-9-2-1-3-10(17)12(9)14(23)21-15(24)25-22-13(20)8-5-4-7(18)6-11(8)19/h1-6H,(H2,20,22)(H,21,23,24) |
| InChIK | MHRVPXJSEXBEEA-UHFFFAOYSA-N |
| TotalMolweight | 388.156 |
| Molweight | 388.156 |
| MonoisotopicMass | 386.998902 |
| CLogP | 4.2714 |
| CLogS | -6.097 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 265.01 |
| Relative PSA | 0.28044 |
| PolarSurfaceArea | 93.78 |
| Druglikeness | -10.867 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - [(E)-[amino-(2,4-difluorophenyl)methylidene]amino] N-(2,6-dichlorobenzoyl)carbamate | 2 - [(E)-[amino-(2,4-difluorophenyl)methylidene]amino] N-(2,6-dichlorobenzoyl)carbamate
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