(Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-(3-phenoxyphenyl)methanimine
Formula:C30H28N3O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-(3-phenoxyphenyl)methanimine is a drug-like molecule.
| MolName | (Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-(3-phenoxyphenyl)methanimine |
| MolecularFormula | C30H28N3O |
| Smiles | C(C[NH+](CC1)C2c(cccc3)c3-c3c2cccc3)N1/N=C\c1cccc(Oc2ccccc2)c1 |
| 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/p+1 |
| InChIK | ULCLEKMRWRWIDI-UHFFFAOYSA-O |
| TotalMolweight | 446.572 |
| Molweight | 446.572 |
| MonoisotopicMass | 446.223237 |
| CLogP | 4.1947 |
| CLogS | -7.213 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 362.48 |
| Relative PSA | 0.11766 |
| PolarSurfaceArea | 29.27 |
| Druglikeness | 3.7508 |
| 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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1 - (Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-(3-phenoxyphenyl)methanimine | 2 - (Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-(3-phenoxyphenyl)methanimine
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