(Z)-1-(2-chlorophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]methanimine
Formula:C24H23N3Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(Z)-1-(2-chlorophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]methanimine is a drug-like molecule.
| MolName | (Z)-1-(2-chlorophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]methanimine |
| MolecularFormula | C24H23N3Cl |
| Smiles | Clc1c(/C=N\N(CC2)CC[NH+]2C2c(cccc3)c3-c3c2cccc3)cccc1 |
| InChI | InChI=1S/C24H22ClN3/c25-23-12-6-1-7-18(23)17-26-28-15-13-27(14-16-28)24-21-10-4-2-8-19(21)20-9-3-5-11-22(20)24/h1-12,17,24H,13-16H2/p+1 |
| InChIK | MJISSXIFFMUCTA-UHFFFAOYSA-O |
| TotalMolweight | 388.921 |
| Molweight | 388.921 |
| MonoisotopicMass | 388.158049 |
| CLogP | 3.4051 |
| CLogS | -5.652 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 308.14 |
| Relative PSA | 0.10596 |
| PolarSurfaceArea | 20.04 |
| Druglikeness | 4.0031 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 8 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-1-(2-chlorophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]methanimine | 2 - (Z)-1-(2-chlorophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]methanimine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off