(Z)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-1-phenyl-1-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine
Formula:C21H21N5Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(Z)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-1-phenyl-1-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine is not a drug-like molecule.
| MolName | (Z)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-1-phenyl-1-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine |
| MolecularFormula | C21H21N5Cl2 |
| Smiles | Clc(cccc1/C=N\N=C(C(C2)(C3)CN4CN3CN2C4)c2ccccc2)c1Cl |
| InChI | InChI=1S/C21H21Cl2N5/c22-18-8-4-7-17(19(18)23)9-24-25-20(16-5-2-1-3-6-16)21-10-26-13-27(11-21)15-28(12-21)14-26/h1-9H,10-15H2 |
| InChIK | HZXDEQNGVVHCAO-UHFFFAOYSA-N |
| TotalMolweight | 414.339 |
| Molweight | 414.339 |
| MonoisotopicMass | 413.117399 |
| CLogP | 5.7533 |
| CLogS | -5.965 |
| H Acceptors | 5 |
| TotalSurfaceArea | 294.96 |
| Relative PSA | 0.11415 |
| PolarSurfaceArea | 34.44 |
| Druglikeness | 5.1138 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.42857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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)-(2,3-dichlorophenyl)methylideneamino]-1-phenyl-1-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine | 2 - (Z)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-1-phenyl-1-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine
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