[(E)-[amino-(4-amino-3,5-dichlorophenyl)methylidene]amino] N-[4-(trifluoromethoxy)phenyl]carbamate
Formula:C15H11N4O3Cl2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino-(4-amino-3,5-dichlorophenyl)methylidene]amino] N-[4-(trifluoromethoxy)phenyl]carbamate is a drug-like molecule.
| MolName | [(E)-[amino-(4-amino-3,5-dichlorophenyl)methylidene]amino] N-[4-(trifluoromethoxy)phenyl]carbamate |
| MolecularFormula | C15H11N4O3Cl2F3 |
| Smiles | N/C(/c(cc1Cl)cc(Cl)c1N)=N/OC(Nc(cc1)ccc1OC(F)(F)F)=O |
| InChI | InChI=1S/C15H11Cl2F3N4O3/c16-10-5-7(6-11(17)12(10)21)13(22)24-27-14(25)23-8-1-3-9(4-2-8)26-15(18,19)20/h1-6H,21H2,(H2,22,24)(H,23,25) |
| InChIK | SNQSDGFMKLEYBE-UHFFFAOYSA-N |
| TotalMolweight | 423.177 |
| Molweight | 423.177 |
| MonoisotopicMass | 422.016029 |
| CLogP | 4.6997 |
| CLogS | -6.623 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 282.54 |
| Relative PSA | 0.30633 |
| PolarSurfaceArea | 111.96 |
| Druglikeness | -13.646 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 7 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - [(E)-[amino-(4-amino-3,5-dichlorophenyl)methylidene]amino] N-[4-(trifluoromethoxy)phenyl]carbamate | 2 - [(E)-[amino-(4-amino-3,5-dichlorophenyl)methylidene]amino] N-[4-(trifluoromethoxy)phenyl]carbamate
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