N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]adamantane-1-carboxamide
Formula:C19H21N2OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]adamantane-1-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]adamantane-1-carboxamide |
| MolecularFormula | C19H21N2OF3 |
| Smiles | O=C(C1(CC(C2)C3)CC3CC2C1)N/N=C\c1c(C(F)(F)F)cccc1 |
| InChI | InChI=1S/C19H21F3N2O/c20-19(21,22)16-4-2-1-3-15(16)11-23-24-17(25)18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,11-14H,5-10H2,(H,24,25) |
| InChIK | DBQVHLGDDLCFJT-UHFFFAOYSA-N |
| TotalMolweight | 350.383 |
| Molweight | 350.383 |
| MonoisotopicMass | 350.160597 |
| CLogP | 4.5032 |
| CLogS | -5.484 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 246.66 |
| Relative PSA | 0.14599 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | -1.9436 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 11 |
| Symmetricatoms | 8 |
| StereoCon |
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