[(E)-[amino-[4-(trifluoromethoxy)phenyl]methylidene]amino] N-phenylcarbamate
Formula:C15H12N3O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino-[4-(trifluoromethoxy)phenyl]methylidene]amino] N-phenylcarbamate is a drug-like molecule.
| MolName | [(E)-[amino-[4-(trifluoromethoxy)phenyl]methylidene]amino] N-phenylcarbamate |
| MolecularFormula | C15H12N3O3F3 |
| Smiles | N/C(/c(cc1)ccc1OC(F)(F)F)=N/OC(Nc1ccccc1)=O |
| InChI | InChI=1S/C15H12F3N3O3/c16-15(17,18)23-12-8-6-10(7-9-12)13(19)21-24-14(22)20-11-4-2-1-3-5-11/h1-9H,(H2,19,21)(H,20,22) |
| InChIK | PGNHQVUYEKJZKQ-UHFFFAOYSA-N |
| TotalMolweight | 339.272 |
| Molweight | 339.272 |
| MonoisotopicMass | 339.083076 |
| CLogP | 4.165 |
| CLogS | -5.075 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 243.18 |
| Relative PSA | 0.29312 |
| PolarSurfaceArea | 85.94 |
| Druglikeness | -13.726 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - [(E)-[amino-[4-(trifluoromethoxy)phenyl]methylidene]amino] N-phenylcarbamate | 2 - [(E)-[amino-[4-(trifluoromethoxy)phenyl]methylidene]amino] N-phenylcarbamate
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