(Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-pyridin-3-ylmethanimine
Formula:C23H23N4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-pyridin-3-ylmethanimine is a drug-like molecule.
| MolName | (Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-pyridin-3-ylmethanimine |
| MolecularFormula | C23H23N4 |
| Smiles | C(C[NH+](CC1)C2c(cccc3)c3-c3c2cccc3)N1/N=C\c1cccnc1 |
| InChI | InChI=1S/C23H22N4/c1-3-9-21-19(7-1)20-8-2-4-10-22(20)23(21)26-12-14-27(15-13-26)25-17-18-6-5-11-24-16-18/h1-11,16-17,23H,12-15H2/p+1 |
| InChIK | JGQSQTHHVFYQNZ-UHFFFAOYSA-O |
| TotalMolweight | 355.464 |
| Molweight | 355.464 |
| MonoisotopicMass | 355.192271 |
| CLogP | 1.7982 |
| CLogS | -4.121 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 291.48 |
| Relative PSA | 0.14965 |
| PolarSurfaceArea | 32.93 |
| Druglikeness | 4.0084 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| 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 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-pyridin-3-ylmethanimine | 2 - (Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-pyridin-3-ylmethanimine
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