(2Z)-2-[(2-bromophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol
Molecular Formula : C14H16NOBr | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(2Z)-2-[(2-bromophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol is a drug-like molecule.
MolName : (2Z)-2-[(2-bromophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol |
MolecularFormula : C14H16NOBr |
Smiles : OC(C1CCN2CC1)/C2=C/c(cccc1)c1Br |
InChI : InChI=1S/C14H16BrNO/c15-12-4-2-1-3-11(12)9-13-14(17)10-5-7-16(13)8-6-10/h1-4,9-10,14,17H,5-8H2/t14-/m0/s1 |
InChIK : DKLUWTUOBHTLLP-AWEZNQCLSA-N |
TotalMolweight : 294.191 |
Molweight : 294.191 |
MonoisotopicMass : 293.041525 |
CLogP : 2.9868 |
CLogS : -3.452 |
H Acceptors : 2 |
H Donors : 1 |
TotalSurfaceArea : 186.29 |
Relative PSA : 0.089377 |
PolarSurfaceArea : 23.47 |
Druglikeness : 3.2763 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.52941 |
Fragments : 1 |
Non HAtoms : 17 |
NonCHAtoms : 3 |
Electronegative Atoms : 3 |
StereoCenters : 1 |
Rotatable Bond : 1 |
Rings Closures : 3 |
Small Rings : 4 |
Aromatic Rings : 1 |
Aromatic Atoms : 6 |
Sp3Atoms : 8 |
Symmetricatoms : 2 |
BasicNitrogens : 1 |
StereoCon : racemate |