(Z)-N-[(Z)-(2-fluorophenyl)methylideneamino]-1-phenyl-1-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine
Formula:C21H22N5F
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(Z)-N-[(Z)-(2-fluorophenyl)methylideneamino]-1-phenyl-1-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine is a drug-like molecule.
| MolName | (Z)-N-[(Z)-(2-fluorophenyl)methylideneamino]-1-phenyl-1-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine |
| MolecularFormula | C21H22N5F |
| Smiles | Fc1c(/C=N\N=C(C(C2)(C3)CN4CN3CN2C4)c2ccccc2)cccc1 |
| InChI | InChI=1S/C21H22FN5/c22-19-9-5-4-8-18(19)10-23-24-20(17-6-2-1-3-7-17)21-11-25-14-26(12-21)16-27(13-21)15-25/h1-10H,11-16H2 |
| InChIK | RKPUBPLCYHNYHM-UHFFFAOYSA-N |
| TotalMolweight | 363.439 |
| Molweight | 363.439 |
| MonoisotopicMass | 363.185923 |
| CLogP | 4.6421 |
| CLogS | -4.807 |
| H Acceptors | 5 |
| TotalSurfaceArea | 270.47 |
| Relative PSA | 0.12449 |
| PolarSurfaceArea | 34.44 |
| Druglikeness | 3.801 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 6 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 8 |
| BasicNitrogens | 3 |
| StereoCon |
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1 - (Z)-N-[(Z)-(2-fluorophenyl)methylideneamino]-1-phenyl-1-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine | 2 - (Z)-N-[(Z)-(2-fluorophenyl)methylideneamino]-1-phenyl-1-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine
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