[(E)-[1-amino-2-[3-(trifluoromethyl)pyrazol-1-yl]ethylidene]amino] N-[4-(trifluoromethoxy)phenyl]carbamate
Formula:C14H11N5O3F6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[1-amino-2-[3-(trifluoromethyl)pyrazol-1-yl]ethylidene]amino] N-[4-(trifluoromethoxy)phenyl]carbamate is a drug-like molecule.
| MolName | [(E)-[1-amino-2-[3-(trifluoromethyl)pyrazol-1-yl]ethylidene]amino] N-[4-(trifluoromethoxy)phenyl]carbamate |
| MolecularFormula | C14H11N5O3F6 |
| Smiles | N/C(/Cn1nc(C(F)(F)F)cc1)=N/OC(Nc(cc1)ccc1OC(F)(F)F)=O |
| InChI | InChI=1S/C14H11F6N5O3/c15-13(16,17)10-5-6-25(23-10)7-11(21)24-28-12(26)22-8-1-3-9(4-2-8)27-14(18,19)20/h1-6H,7H2,(H2,21,24)(H,22,26) |
| InChIK | UNYQACQAEZUGFX-UHFFFAOYSA-N |
| TotalMolweight | 411.261 |
| Molweight | 411.261 |
| MonoisotopicMass | 411.076608 |
| CLogP | 2.6242 |
| CLogS | -4.111 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 274.36 |
| Relative PSA | 0.32483 |
| PolarSurfaceArea | 103.76 |
| Druglikeness | -17.53 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 14 |
| Electronegative Atoms | 14 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - [(E)-[1-amino-2-[3-(trifluoromethyl)pyrazol-1-yl]ethylidene]amino] N-[4-(trifluoromethoxy)phenyl]carbamate | 2 - [(E)-[1-amino-2-[3-(trifluoromethyl)pyrazol-1-yl]ethylidene]amino] N-[4-(trifluoromethoxy)phenyl]carbamate
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