[(E)-[amino-[3-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]methylidene]amino] N-phenylcarbamate
Formula:C19H14N5O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino-[3-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]methylidene]amino] N-phenylcarbamate is a drug-like molecule.
| MolName | [(E)-[amino-[3-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]methylidene]amino] N-phenylcarbamate |
| MolecularFormula | C19H14N5O3F3 |
| Smiles | N/C(/c1nccnc1Oc1cccc(C(F)(F)F)c1)=N/OC(Nc1ccccc1)=O |
| InChI | InChI=1S/C19H14F3N5O3/c20-19(21,22)12-5-4-8-14(11-12)29-17-15(24-9-10-25-17)16(23)27-30-18(28)26-13-6-2-1-3-7-13/h1-11H,(H2,23,27)(H,26,28) |
| InChIK | NESITKGHCZFYOG-UHFFFAOYSA-N |
| TotalMolweight | 417.346 |
| Molweight | 417.346 |
| MonoisotopicMass | 417.104874 |
| CLogP | 3.7135 |
| CLogS | -6.086 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 300.46 |
| Relative PSA | 0.31026 |
| PolarSurfaceArea | 111.72 |
| Druglikeness | -12.916 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - [(E)-[amino-[3-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]methylidene]amino] N-phenylcarbamate | 2 - [(E)-[amino-[3-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]methylidene]amino] N-phenylcarbamate
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