[(E)-[amino-[3-(trifluoromethyl)phenyl]methylidene]amino] N-phenylcarbamate
Formula:C15H12N3O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino-[3-(trifluoromethyl)phenyl]methylidene]amino] N-phenylcarbamate is a drug-like molecule.
| MolName | [(E)-[amino-[3-(trifluoromethyl)phenyl]methylidene]amino] N-phenylcarbamate |
| MolecularFormula | C15H12N3O2F3 |
| Smiles | N/C(/c1cccc(C(F)(F)F)c1)=N/OC(Nc1ccccc1)=O |
| InChI | InChI=1S/C15H12F3N3O2/c16-15(17,18)11-6-4-5-10(9-11)13(19)21-23-14(22)20-12-7-2-1-3-8-12/h1-9H,(H2,19,21)(H,20,22) |
| InChIK | XAWJCQBENLYXHC-UHFFFAOYSA-N |
| TotalMolweight | 323.273 |
| Molweight | 323.273 |
| MonoisotopicMass | 323.088161 |
| CLogP | 3.9143 |
| CLogS | -4.83 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 233.18 |
| Relative PSA | 0.2628 |
| PolarSurfaceArea | 76.71 |
| Druglikeness | -12.918 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - [(E)-[amino-[3-(trifluoromethyl)phenyl]methylidene]amino] N-phenylcarbamate | 2 - [(E)-[amino-[3-(trifluoromethyl)phenyl]methylidene]amino] N-phenylcarbamate
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