(Z)-1-anthracen-9-yl-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine
Formula:C32H27N3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(Z)-1-anthracen-9-yl-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine is not a drug-like molecule.
| MolName | (Z)-1-anthracen-9-yl-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine |
| MolecularFormula | C32H27N3 |
| Smiles | C(CN(CC1)/N=C\c2c(cccc3)c3cc3ccccc23)N1C1c(cccc2)c2-c2c1cccc2 |
| InChI | InChI=1S/C32H27N3/c1-3-11-25-23(9-1)21-24-10-2-4-12-26(24)31(25)22-33-35-19-17-34(18-20-35)32-29-15-7-5-13-27(29)28-14-6-8-16-30(28)32/h1-16,21-22,32H,17-20H2 |
| InChIK | DHQHXUJIQCFBIF-UHFFFAOYSA-N |
| TotalMolweight | 453.587 |
| Molweight | 453.587 |
| MonoisotopicMass | 453.220497 |
| CLogP | 7.2976 |
| CLogS | -8.128 |
| H Acceptors | 3 |
| TotalSurfaceArea | 347.88 |
| Relative PSA | 0.053495 |
| PolarSurfaceArea | 18.84 |
| Druglikeness | 6.966 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.45714 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 7 |
| Small Rings | 7 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 7 |
| Symmetricatoms | 14 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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