(Z)-N-[(Z)-cyclohex-3-en-1-ylmethylideneamino]-1-phenyl-1-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine
Formula:C21H27N5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(Z)-N-[(Z)-cyclohex-3-en-1-ylmethylideneamino]-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)-cyclohex-3-en-1-ylmethylideneamino]-1-phenyl-1-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine |
| MolecularFormula | C21H27N5 |
| Smiles | C(CC=CC1)C1/C=N\N=C(\C(C1)(C2)CN3CN2CN1C3)/c1ccccc1 |
| InChI | InChI=1S/C21H27N5/c1-3-7-18(8-4-1)11-22-23-20(19-9-5-2-6-10-19)21-12-24-15-25(13-21)17-26(14-21)16-24/h1-3,5-6,9-11,18H,4,7-8,12-17H2/t18-/m1/s1 |
| InChIK | GZYLUHJANOCZAJ-GOSISDBHSA-N |
| TotalMolweight | 349.48 |
| Molweight | 349.48 |
| MonoisotopicMass | 349.226645 |
| CLogP | 3.8553 |
| CLogS | -4.343 |
| H Acceptors | 5 |
| TotalSurfaceArea | 271.14 |
| Relative PSA | 0.12418 |
| PolarSurfaceArea | 34.44 |
| Druglikeness | -0.2715 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.46154 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 6 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 14 |
| Symmetricatoms | 8 |
| BasicNitrogens | 3 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (Z)-N-[(Z)-cyclohex-3-en-1-ylmethylideneamino]-1-phenyl-1-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine | 2 - (Z)-N-[(Z)-cyclohex-3-en-1-ylmethylideneamino]-1-phenyl-1-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off