(Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-(4-phenylmethoxyphenyl)methanimine
Formula:C31H30N3O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-(4-phenylmethoxyphenyl)methanimine is a drug-like molecule.
| MolName | (Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-(4-phenylmethoxyphenyl)methanimine |
| MolecularFormula | C31H30N3O |
| Smiles | C(c1ccccc1)Oc1ccc(/C=N\N(CC2)CC[NH+]2C2c(cccc3)c3-c3c2cccc3)cc1 |
| InChI | InChI=1S/C31H29N3O/c1-2-8-25(9-3-1)23-35-26-16-14-24(15-17-26)22-32-34-20-18-33(19-21-34)31-29-12-6-4-10-27(29)28-11-5-7-13-30(28)31/h1-17,22,31H,18-21,23H2/p+1 |
| InChIK | BWRXETOEVLDGAG-UHFFFAOYSA-O |
| TotalMolweight | 460.599 |
| Molweight | 460.599 |
| MonoisotopicMass | 460.238887 |
| CLogP | 4.1472 |
| CLogS | -6.257 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 376.24 |
| Relative PSA | 0.11336 |
| PolarSurfaceArea | 29.27 |
| Druglikeness | 3.4435 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 9 |
| Symmetricatoms | 12 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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