3-hydroxy-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]naphthalene-2-carboxamide
Formula:C19H13N2O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-hydroxy-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]naphthalene-2-carboxamide is a drug-like molecule.
| MolName | 3-hydroxy-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]naphthalene-2-carboxamide |
| MolecularFormula | C19H13N2O2F3 |
| Smiles | Oc1cc2ccccc2cc1C(N/N=C\c1c(C(F)(F)F)cccc1)=O |
| InChI | InChI=1S/C19H13F3N2O2/c20-19(21,22)16-8-4-3-7-14(16)11-23-24-18(26)15-9-12-5-1-2-6-13(12)10-17(15)25/h1-11,25H,(H,24,26) |
| InChIK | XUOXVVPKTGSPAM-UHFFFAOYSA-N |
| TotalMolweight | 358.318 |
| Molweight | 358.318 |
| MonoisotopicMass | 358.092912 |
| CLogP | 4.8986 |
| CLogS | -5.809 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 257.4 |
| Relative PSA | 0.19079 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | -2.7696 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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