[(E)-[amino-[4-(trifluoromethoxy)phenyl]methylidene]amino] N-[3-(trifluoromethyl)phenyl]carbamate
Formula:C16H11N3O3F6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino-[4-(trifluoromethoxy)phenyl]methylidene]amino] N-[3-(trifluoromethyl)phenyl]carbamate is not a drug-like molecule.
| MolName | [(E)-[amino-[4-(trifluoromethoxy)phenyl]methylidene]amino] N-[3-(trifluoromethyl)phenyl]carbamate |
| MolecularFormula | C16H11N3O3F6 |
| Smiles | N/C(/c(cc1)ccc1OC(F)(F)F)=N/OC(Nc1cc(C(F)(F)F)ccc1)=O |
| InChI | InChI=1S/C16H11F6N3O3/c17-15(18,19)10-2-1-3-11(8-10)24-14(26)28-25-13(23)9-4-6-12(7-5-9)27-16(20,21)22/h1-8H,(H2,23,25)(H,24,26) |
| InChIK | ZUHCQQRCRLVPAB-UHFFFAOYSA-N |
| TotalMolweight | 407.269 |
| Molweight | 407.269 |
| MonoisotopicMass | 407.07046 |
| CLogP | 5.0133 |
| CLogS | -5.853 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 272.64 |
| Relative PSA | 0.26144 |
| PolarSurfaceArea | 85.94 |
| Druglikeness | -16.456 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - [(E)-[amino-[4-(trifluoromethoxy)phenyl]methylidene]amino] N-[3-(trifluoromethyl)phenyl]carbamate | 2 - [(E)-[amino-[4-(trifluoromethoxy)phenyl]methylidene]amino] N-[3-(trifluoromethyl)phenyl]carbamate
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