N-[(E)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-2-diphenylphosphorylacetamide
Molecular Formula : C21H24N3O2P | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |N-[(E)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-2-diphenylphosphorylacetamide is a drug-like molecule.
MolName : N-[(E)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-2-diphenylphosphorylacetamide |
MolecularFormula : C21H24N3O2P |
Smiles : O=C(CP(c1ccccc1)(c1ccccc1)=O)N/N=C1\C(CC2)CCN2C1 |
InChI : InChI=1S/C21H24N3O2P/c25-21(23-22-20-15-24-13-11-17(20)12-14-24)16-27(26,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,17H,11-16H2,(H,23,25) |
InChIK : CUWNHKJBXCRJQP-UHFFFAOYSA-N |
TotalMolweight : 381.415 |
Molweight : 381.415 |
MonoisotopicMass : 381.160614 |
CLogP : 3.0439 |
CLogS : -4.33 |
H Acceptors : 5 |
H Donors : 1 |
TotalSurfaceArea : 287.33 |
Relative PSA : 0.19692 |
PolarSurfaceArea : 71.58 |
Druglikeness : -6.5567 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : high |
Nasty Functions : acyl-hydrazone |
Shape Index : 0.48148 |
Fragments : 1 |
Non HAtoms : 27 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 5 |
Rings Closures : 4 |
Small Rings : 5 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 9 |
Symmetricatoms : 10 |
Amines : 1 |
AlkylAmines : 1 |
BasicNitrogens : 1 |
StereoCon : |