[(E)-[amino(pyrazin-2-yl)methylidene]amino] N-[4-(trifluoromethoxy)phenyl]carbamate
Formula:C13H10N5O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino(pyrazin-2-yl)methylidene]amino] N-[4-(trifluoromethoxy)phenyl]carbamate is a drug-like molecule.
| MolName | [(E)-[amino(pyrazin-2-yl)methylidene]amino] N-[4-(trifluoromethoxy)phenyl]carbamate |
| MolecularFormula | C13H10N5O3F3 |
| Smiles | N/C(/c1nccnc1)=N/OC(Nc(cc1)ccc1OC(F)(F)F)=O |
| InChI | InChI=1S/C13H10F3N5O3/c14-13(15,16)23-9-3-1-8(2-4-9)20-12(22)24-21-11(17)10-7-18-5-6-19-10/h1-7H,(H2,17,21)(H,20,22) |
| InChIK | IKEHHWPWWIWUDL-UHFFFAOYSA-N |
| TotalMolweight | 341.248 |
| Molweight | 341.248 |
| MonoisotopicMass | 341.073574 |
| CLogP | 2.2172 |
| CLogS | -3.509 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 240.7 |
| Relative PSA | 0.38729 |
| PolarSurfaceArea | 111.72 |
| Druglikeness | -13.726 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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