N-[(Z)-anthracen-9-ylmethylideneamino]-3-piperidin-1-ium-1-ylpropanamide
Formula:C23H26N3O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-3-piperidin-1-ium-1-ylpropanamide is a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-3-piperidin-1-ium-1-ylpropanamide |
| MolecularFormula | C23H26N3O |
| Smiles | O=C(CC[NH+]1CCCCC1)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C23H25N3O/c27-23(12-15-26-13-6-1-7-14-26)25-24-17-22-20-10-4-2-8-18(20)16-19-9-3-5-11-21(19)22/h2-5,8-11,16-17H,1,6-7,12-15H2,(H,25,27)/p+1 |
| InChIK | SLDRTCYJIQIPTP-UHFFFAOYSA-O |
| TotalMolweight | 360.479 |
| Molweight | 360.479 |
| MonoisotopicMass | 360.207587 |
| CLogP | 2.9178 |
| CLogS | -6.112 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 303.59 |
| Relative PSA | 0.17655 |
| PolarSurfaceArea | 45.9 |
| Druglikeness | 1.0959 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 8 |
| Symmetricatoms | 8 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-anthracen-9-ylmethylideneamino]-3-piperidin-1-ium-1-ylpropanamide | 2 - N-[(Z)-anthracen-9-ylmethylideneamino]-3-piperidin-1-ium-1-ylpropanamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off