3-[(Z)-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]iminomethyl]phenol
Formula:C24H24N3O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-[(Z)-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]iminomethyl]phenol is a drug-like molecule.
| MolName | 3-[(Z)-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]iminomethyl]phenol |
| MolecularFormula | C24H24N3O |
| Smiles | Oc1cc(/C=N\N(CC2)CC[NH+]2C2c(cccc3)c3-c3c2cccc3)ccc1 |
| InChI | InChI=1S/C24H23N3O/c28-19-7-5-6-18(16-19)17-25-27-14-12-26(13-15-27)24-22-10-3-1-8-20(22)21-9-2-4-11-23(21)24/h1-11,16-17,24,28H,12-15H2/p+1 |
| InChIK | CEZSIEYRNYQISC-UHFFFAOYSA-O |
| TotalMolweight | 370.475 |
| Molweight | 370.475 |
| MonoisotopicMass | 370.191937 |
| CLogP | 2.4534 |
| CLogS | -4.62 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 299.07 |
| Relative PSA | 0.15297 |
| PolarSurfaceArea | 40.27 |
| Druglikeness | 3.8549 |
| 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 | 8 |
| Symmetricatoms | 8 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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