(Z)-1-(3,4-dichlorophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]methanimine
Formula:C24H22N3Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(Z)-1-(3,4-dichlorophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]methanimine is a drug-like molecule.
| MolName | (Z)-1-(3,4-dichlorophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]methanimine |
| MolecularFormula | C24H22N3Cl2 |
| Smiles | Clc(ccc(/C=N\N(CC1)CC[NH+]1C1c(cccc2)c2-c2c1cccc2)c1)c1Cl |
| InChI | InChI=1S/C24H21Cl2N3/c25-22-10-9-17(15-23(22)26)16-27-29-13-11-28(12-14-29)24-20-7-3-1-5-18(20)19-6-2-4-8-21(19)24/h1-10,15-16,24H,11-14H2/p+1 |
| InChIK | VXPKWRXTBVZJAX-UHFFFAOYSA-O |
| TotalMolweight | 423.366 |
| Molweight | 423.366 |
| MonoisotopicMass | 422.119076 |
| CLogP | 4.0111 |
| CLogS | -6.388 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 323.56 |
| Relative PSA | 0.10091 |
| PolarSurfaceArea | 20.04 |
| Druglikeness | 4.0031 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| 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 | 8 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (Z)-1-(3,4-dichlorophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]methanimine | 2 - (Z)-1-(3,4-dichlorophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]methanimine
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