(Z)-1-anthracen-9-yl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
Formula:C30H27N3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(Z)-1-anthracen-9-yl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine is not a drug-like molecule.
| MolName | (Z)-1-anthracen-9-yl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine |
| MolecularFormula | C30H27N3 |
| Smiles | C(c1cccc2ccccc12)N(CC1)CCN1/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C30H27N3/c1-4-13-27-23(8-1)11-7-12-26(27)22-32-16-18-33(19-17-32)31-21-30-28-14-5-2-9-24(28)20-25-10-3-6-15-29(25)30/h1-15,20-21H,16-19,22H2 |
| InChIK | DILMKSVHAOTWTL-UHFFFAOYSA-N |
| TotalMolweight | 429.565 |
| Molweight | 429.565 |
| MonoisotopicMass | 429.220497 |
| CLogP | 6.6022 |
| CLogS | -7.474 |
| H Acceptors | 3 |
| TotalSurfaceArea | 337.48 |
| Relative PSA | 0.055144 |
| PolarSurfaceArea | 18.84 |
| Druglikeness | 7.1964 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 7 |
| Symmetricatoms | 8 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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