N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-piperidin-1-ium-1-ylpropanamide
Formula:C16H22N3O2F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-piperidin-1-ium-1-ylpropanamide is a drug-like molecule.
| MolName | N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-piperidin-1-ium-1-ylpropanamide |
| MolecularFormula | C16H22N3O2F2 |
| Smiles | O=C(CC[NH+]1CCCCC1)N/N=C\c(cccc1)c1OC(F)F |
| InChI | InChI=1S/C16H21F2N3O2/c17-16(18)23-14-7-3-2-6-13(14)12-19-20-15(22)8-11-21-9-4-1-5-10-21/h2-3,6-7,12,16H,1,4-5,8-11H2,(H,20,22)/p+1 |
| InChIK | FOXJSHRRQGCAGY-UHFFFAOYSA-O |
| TotalMolweight | 326.366 |
| Molweight | 326.366 |
| MonoisotopicMass | 326.168008 |
| CLogP | 0.6984 |
| CLogS | -3.522 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 269.59 |
| Relative PSA | 0.23591 |
| PolarSurfaceArea | 55.13 |
| Druglikeness | -1.7626 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 10 |
| Symmetricatoms | 3 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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