(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine
Formula:C26H25N3O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine is a drug-like molecule.
| MolName | (Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine |
| MolecularFormula | C26H25N3O2 |
| Smiles | C(CN(CC1)/N=C\c(cc2)cc3c2OCCO3)N1C1c(cccc2)c2-c2c1cccc2 |
| InChI | InChI=1S/C26H25N3O2/c1-3-7-22-20(5-1)21-6-2-4-8-23(21)26(22)28-11-13-29(14-12-28)27-18-19-9-10-24-25(17-19)31-16-15-30-24/h1-10,17-18,26H,11-16H2 |
| InChIK | YJUXMRQATOCVAQ-UHFFFAOYSA-N |
| TotalMolweight | 411.504 |
| Molweight | 411.504 |
| MonoisotopicMass | 411.194677 |
| CLogP | 4.8876 |
| CLogS | -5.098 |
| H Acceptors | 5 |
| TotalSurfaceArea | 312.7 |
| Relative PSA | 0.12347 |
| PolarSurfaceArea | 37.3 |
| Druglikeness | -0.62573 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 11 |
| Symmetricatoms | 8 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine | 2 - (Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off