(2E)-2-[(2,4-dichlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol
Molecular Formula : C14H15NOCl2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(2E)-2-[(2,4-dichlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol is a drug-like molecule.
MolName : (2E)-2-[(2,4-dichlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol |
MolecularFormula : C14H15NOCl2 |
Smiles : OC(C1CCN2CC1)/C2=C\c(ccc(Cl)c1)c1Cl |
InChI : InChI=1S/C14H15Cl2NO/c15-11-2-1-10(12(16)8-11)7-13-14(18)9-3-5-17(13)6-4-9/h1-2,7-9,14,18H,3-6H2/t14-/m0/s1 |
InChIK : XAHDHBCPTITANJ-AWEZNQCLSA-N |
TotalMolweight : 284.185 |
Molweight : 284.185 |
MonoisotopicMass : 283.053068 |
CLogP : 3.4736 |
CLogS : -4.09 |
H Acceptors : 2 |
H Donors : 1 |
TotalSurfaceArea : 198.5 |
Relative PSA : 0.083879 |
PolarSurfaceArea : 23.47 |
Druglikeness : 5.0985 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.55556 |
Fragments : 1 |
Non HAtoms : 18 |
NonCHAtoms : 4 |
Electronegative Atoms : 4 |
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 |