(Z)-N-[(Z)-(4-chlorophenyl)methylideneamino]-1-phenyl-1-(1,3,5-triazoniatricyclo[3.3.1.13,7]decan-7-yl)methanimine
Formula:C21H25N5Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-[(Z)-(4-chlorophenyl)methylideneamino]-1-phenyl-1-(1,3,5-triazoniatricyclo[3.3.1.13,7]decan-7-yl)methanimine is a drug-like molecule.
| MolName | (Z)-N-[(Z)-(4-chlorophenyl)methylideneamino]-1-phenyl-1-(1,3,5-triazoniatricyclo[3.3.1.13,7]decan-7-yl)methanimine |
| MolecularFormula | C21H25N5Cl |
| Smiles | Clc1ccc(/C=N\N=C(\C(C2)(C3)C[NH+]4C[NH+]3C[NH+]2C4)/c2ccccc2)cc1 |
| InChI | InChI=1S/C21H22ClN5/c22-19-8-6-17(7-9-19)10-23-24-20(18-4-2-1-3-5-18)21-11-25-14-26(12-21)16-27(13-21)15-25/h1-10H,11-16H2/p+3 |
| InChIK | OUIYOTIDFQMAEH-UHFFFAOYSA-Q |
| TotalMolweight | 382.918 |
| Molweight | 382.918 |
| MonoisotopicMass | 382.179847 |
| CLogP | -1.1818 |
| CLogS | -5.229 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 321.66 |
| Relative PSA | 0.23562 |
| PolarSurfaceArea | 38.04 |
| Druglikeness | 1.7077 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.48148 |
| 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 | 10 |
| BasicNitrogens | 3 |
| StereoCon |
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1 - (Z)-N-[(Z)-(4-chlorophenyl)methylideneamino]-1-phenyl-1-(1,3,5-triazoniatricyclo[3.3.1.13,7]decan-7-yl)methanimine | 2 - (Z)-N-[(Z)-(4-chlorophenyl)methylideneamino]-1-phenyl-1-(1,3,5-triazoniatricyclo[3.3.1.13,7]decan-7-yl)methanimine
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