(Z)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(3-phenoxyphenyl)methanimine
Formula:C30H27N3O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(Z)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(3-phenoxyphenyl)methanimine is not a drug-like molecule.
| MolName | (Z)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(3-phenoxyphenyl)methanimine |
| MolecularFormula | C30H27N3O |
| Smiles | C(CN(CC1)/N=C\c2cccc(Oc3ccccc3)c2)N1C1c(cccc2)c2-c2c1cccc2 |
| InChI | InChI=1S/C30H27N3O/c1-2-10-24(11-3-1)34-25-12-8-9-23(21-25)22-31-33-19-17-32(18-20-33)30-28-15-6-4-13-26(28)27-14-5-7-16-29(27)30/h1-16,21-22,30H,17-20H2 |
| InChIK | ULCLEKMRWRWIDI-UHFFFAOYSA-N |
| TotalMolweight | 445.564 |
| Molweight | 445.564 |
| MonoisotopicMass | 445.215412 |
| CLogP | 6.3044 |
| CLogS | -7.213 |
| H Acceptors | 4 |
| TotalSurfaceArea | 348.44 |
| Relative PSA | 0.082109 |
| PolarSurfaceArea | 28.07 |
| Druglikeness | 6.6105 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.55882 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 8 |
| Symmetricatoms | 10 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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