N-[(E)-[amino-[5-(trifluoromethyl)pyridin-2-yl]methylidene]amino]-3-(trifluoromethyl)benzamide
Formula:C15H10N4OF6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-[amino-[5-(trifluoromethyl)pyridin-2-yl]methylidene]amino]-3-(trifluoromethyl)benzamide is a drug-like molecule.
| MolName | N-[(E)-[amino-[5-(trifluoromethyl)pyridin-2-yl]methylidene]amino]-3-(trifluoromethyl)benzamide |
| MolecularFormula | C15H10N4OF6 |
| Smiles | N/C(/c1ncc(C(F)(F)F)cc1)=N/NC(c1cc(C(F)(F)F)ccc1)=O |
| InChI | InChI=1S/C15H10F6N4O/c16-14(17,18)9-3-1-2-8(6-9)13(26)25-24-12(22)11-5-4-10(7-23-11)15(19,20)21/h1-7H,(H2,22,24)(H,25,26) |
| InChIK | JHWLMNOXQLTFAJ-UHFFFAOYSA-N |
| TotalMolweight | 376.259 |
| Molweight | 376.259 |
| MonoisotopicMass | 376.075879 |
| CLogP | 3.1053 |
| CLogS | -4.271 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 251.4 |
| Relative PSA | 0.24761 |
| PolarSurfaceArea | 80.37 |
| Druglikeness | -4.1235 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(E)-[amino-[5-(trifluoromethyl)pyridin-2-yl]methylidene]amino]-3-(trifluoromethyl)benzamide | 2 - N-[(E)-[amino-[5-(trifluoromethyl)pyridin-2-yl]methylidene]amino]-3-(trifluoromethyl)benzamide
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