N-[(Z)-anthracen-9-ylmethylideneamino]-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
Formula:C28H26N3OCl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide |
| MolecularFormula | C28H26N3OCl |
| Smiles | O=C(C1CCN(Cc(cc2)ccc2Cl)CC1)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C28H26ClN3O/c29-24-11-9-20(10-12-24)19-32-15-13-21(14-16-32)28(33)31-30-18-27-25-7-3-1-5-22(25)17-23-6-2-4-8-26(23)27/h1-12,17-18,21H,13-16,19H2,(H,31,33) |
| InChIK | XJDAIYUPOUNIID-UHFFFAOYSA-N |
| TotalMolweight | 455.987 |
| Molweight | 455.987 |
| MonoisotopicMass | 455.176439 |
| CLogP | 6.4602 |
| CLogS | -7.761 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 349.71 |
| Relative PSA | 0.11312 |
| PolarSurfaceArea | 44.7 |
| Druglikeness | 9.2736 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57576 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 7 |
| Symmetricatoms | 10 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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