N-[(Z)-anthracen-9-ylmethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
Formula:C21H15N4OF3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide |
| MolecularFormula | C21H15N4OF3 |
| Smiles | O=C(Cn1nc(C(F)(F)F)cc1)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C21H15F3N4O/c22-21(23,24)19-9-10-28(27-19)13-20(29)26-25-12-18-16-7-3-1-5-14(16)11-15-6-2-4-8-17(15)18/h1-12H,13H2,(H,26,29) |
| InChIK | XSCVNCWFLIVXAU-UHFFFAOYSA-N |
| TotalMolweight | 396.371 |
| Molweight | 396.371 |
| MonoisotopicMass | 396.119795 |
| CLogP | 4.0496 |
| CLogS | -5.969 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 287.37 |
| Relative PSA | 0.18739 |
| PolarSurfaceArea | 59.28 |
| Druglikeness | -5.4088 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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