[(E)-[amino(1,2-oxazol-5-yl)methylidene]amino] N-[3-(trifluoromethyl)phenyl]carbamate
Formula:C12H9N4O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino(1,2-oxazol-5-yl)methylidene]amino] N-[3-(trifluoromethyl)phenyl]carbamate is a drug-like molecule.
| MolName | [(E)-[amino(1,2-oxazol-5-yl)methylidene]amino] N-[3-(trifluoromethyl)phenyl]carbamate |
| MolecularFormula | C12H9N4O3F3 |
| Smiles | N/C(/c1ccno1)=N/OC(Nc1cccc(C(F)(F)F)c1)=O |
| InChI | InChI=1S/C12H9F3N4O3/c13-12(14,15)7-2-1-3-8(6-7)18-11(20)22-19-10(16)9-4-5-17-21-9/h1-6H,(H2,16,19)(H,18,20) |
| InChIK | QRQZMWWYKROQBL-UHFFFAOYSA-N |
| TotalMolweight | 314.222 |
| Molweight | 314.222 |
| MonoisotopicMass | 314.062675 |
| CLogP | 2.3786 |
| CLogS | -3.951 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 221.63 |
| Relative PSA | 0.38966 |
| PolarSurfaceArea | 102.74 |
| Druglikeness | -12.082 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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