(Z)-1-(2,6-dichlorophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine
Formula:C24H21N3Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
(Z)-1-(2,6-dichlorophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine is not a drug-like molecule.
| MolName | (Z)-1-(2,6-dichlorophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine |
| MolecularFormula | C24H21N3Cl2 |
| Smiles | Clc1cccc(Cl)c1/C=N\N(CC1)CCN1C1c(cccc2)c2-c2c1cccc2 |
| InChI | InChI=1S/C24H21Cl2N3/c25-22-10-5-11-23(26)21(22)16-27-29-14-12-28(13-15-29)24-19-8-3-1-6-17(19)18-7-2-4-9-20(18)24/h1-11,16,24H,12-15H2 |
| InChIK | HKDDOHWQQLCMJP-UHFFFAOYSA-N |
| TotalMolweight | 422.358 |
| Molweight | 422.358 |
| MonoisotopicMass | 421.111251 |
| CLogP | 6.1208 |
| CLogS | -6.388 |
| H Acceptors | 3 |
| TotalSurfaceArea | 309.52 |
| Relative PSA | 0.060125 |
| PolarSurfaceArea | 18.84 |
| Druglikeness | 6.9194 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 11 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (Z)-1-(2,6-dichlorophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine | 2 - (Z)-1-(2,6-dichlorophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine
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