(2E)-2-[(4-nitrophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol
Molecular Formula : C14H16N2O3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(2E)-2-[(4-nitrophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol is a drug-like molecule.
MolName : (2E)-2-[(4-nitrophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol |
MolecularFormula : C14H16N2O3 |
Smiles : [O-][N+](c1ccc(/C=C2/N(CC3)CCC3C2O)cc1)=O |
InChI : InChI=1S/C14H16N2O3/c17-14-11-5-7-15(8-6-11)13(14)9-10-1-3-12(4-2-10)16(18)19/h1-4,9,11,14,17H,5-8H2/t14-/m0/s1 |
InChIK : KWXOJIBUTPSKRN-AWEZNQCLSA-N |
TotalMolweight : 260.292 |
Molweight : 260.292 |
MonoisotopicMass : 260.116093 |
CLogP : 0.4135 |
CLogS : -3.078 |
H Acceptors : 5 |
H Donors : 1 |
TotalSurfaceArea : 191.33 |
Relative PSA : 0.24601 |
PolarSurfaceArea : 69.29 |
Druglikeness : -0.031689 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro |
Shape Index : 0.57895 |
Fragments : 1 |
Non HAtoms : 19 |
NonCHAtoms : 5 |
Electronegative Atoms : 5 |
StereoCenters : 1 |
Rotatable Bond : 2 |
Rings Closures : 3 |
Small Rings : 4 |
Aromatic Rings : 1 |
Aromatic Atoms : 6 |
Sp3Atoms : 9 |
Symmetricatoms : 4 |
BasicNitrogens : 1 |
AcidicOxygens : 1 |
StereoCon : racemate |