(Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-phenylmethanimine
Formula:C24H24N3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-phenylmethanimine is a drug-like molecule.
| MolName | (Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-phenylmethanimine |
| MolecularFormula | C24H24N3 |
| Smiles | C(C[NH+](CC1)C2c(cccc3)c3-c3c2cccc3)N1/N=C\c1ccccc1 |
| InChI | InChI=1S/C24H23N3/c1-2-8-19(9-3-1)18-25-27-16-14-26(15-17-27)24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h1-13,18,24H,14-17H2/p+1 |
| InChIK | JGAYKEAZJXUZJD-UHFFFAOYSA-O |
| TotalMolweight | 354.476 |
| Molweight | 354.476 |
| MonoisotopicMass | 354.197022 |
| CLogP | 2.7991 |
| CLogS | -4.916 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 292.72 |
| Relative PSA | 0.11154 |
| PolarSurfaceArea | 20.04 |
| 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 | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 10 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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