N-[(Z)-(2-fluorophenyl)methylideneamino]-1,2,3,4-tetrahydroacridine-9-carboxamide
Formula:C21H18N3OF
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(2-fluorophenyl)methylideneamino]-1,2,3,4-tetrahydroacridine-9-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2-fluorophenyl)methylideneamino]-1,2,3,4-tetrahydroacridine-9-carboxamide |
| MolecularFormula | C21H18N3OF |
| Smiles | O=C(c1c(CCCC2)c2nc2ccccc12)N/N=C\c(cccc1)c1F |
| InChI | InChI=1S/C21H18FN3O/c22-17-10-4-1-7-14(17)13-23-25-21(26)20-15-8-2-5-11-18(15)24-19-12-6-3-9-16(19)20/h1-2,4-5,7-8,10-11,13H,3,6,9,12H2,(H,25,26) |
| InChIK | XHSJFFALNRFUEN-UHFFFAOYSA-N |
| TotalMolweight | 347.392 |
| Molweight | 347.392 |
| MonoisotopicMass | 347.14339 |
| CLogP | 4.8292 |
| CLogS | -5.857 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 268.24 |
| Relative PSA | 0.17514 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | -2.2777 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(2-fluorophenyl)methylideneamino]-1,2,3,4-tetrahydroacridine-9-carboxamide | 2 - N-[(Z)-(2-fluorophenyl)methylideneamino]-1,2,3,4-tetrahydroacridine-9-carboxamide
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