4-Morpholinophenylboronic acid

Formula:C10H14NO3B CAS:186498-02-2 ChemrytIQ

PropertyValue
Casrn186498-02-2
MolName4-Morpholinophenylboronic acid
MolecularFormulaC10H14NO3B
SmilesOB(c(cc1)ccc1N1CCOCC1)O
InChIInChI=1S/C10H14BNO3/c13-11(14)9-1-3-10(4-2-9)12-5-7-15-8-6-12/h1-4,13-14H,5-8H2
InChIKWHDIUBHAKZDSJL-UHFFFAOYSA-N
CanonicalSyTyLFyb38cdba3d27d7e7f
TotalMolweight207.036
Molweight207.036
MonoisotopicMass207.106674
CLogP1.052
CLogS1.002
H Acceptors4
H Donors2
TotalSurfaceArea162.4
Relative PSA0.24477
PolarSurfaceArea52.93
Druglikeness-9.7958
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsunwanted atom
Shape Index0.66667
Molecula Flexibility0.47166
Molecular Complexity0.58727
Fragments1
Non HAtoms15
NonCHAtoms5
Electronegative Atoms4
Rotatable Bond2
Rings Closures2
Small Rings2
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms7
Symmetricatoms5
Amines1
Aromatic Amines1
StereoCon
CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness ChemrytIQ
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100-13-0nonenonelowC8H7NO2149.149-10.212 ChemrytIQ
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1000017-92-4nonenonenoneC6H4NBr2Cl285.366-3.6 ChemrytIQ
100-09-4nonenonenoneC8H8O3152.149-1.597 ChemrytIQ
100-20-9highnonelowC8H4O2Cl2203.024-10.706 ChemrytIQ
1000010-11-6nonenonenoneC28H44N2O2440.669-21.689 ChemrytIQ
1000-16-4nonenonenoneC13H30NO3P279.359-34.244 ChemrytIQ
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100-15-2nonehighnoneC7H8N2O2152.153-5.7806 ChemrytIQ
1000339-25-2nonenonenoneC14H8N2OBrF319.133-1.9975 ChemrytIQ
1000-43-7highhighhighC8H18Cl2Si213.223-31.848 ChemrytIQ
10001-43-1nonenonenoneC15H18N6O2314.3484.1828 ChemrytIQ
100023-32-3highhighnoneCH3O4S.C20H19N2O303.3840.7545 ChemrytIQ
100-18-5nonenonenoneC12H18162.275-2.5088 ChemrytIQ
1000068-25-6nonenonenoneC13H15NO4BF279.074-46.077 ChemrytIQ
1000-41-5nonenonelowC10H18O154.252-9.05 ChemrytIQ
1000-28-8nonenonenoneC6H3OF11300.067-44.343 ChemrytIQ
100004-81-7nonenonenoneC13H11NO3229.234-1.3547 ChemrytIQ
10000-42-7highhighlowC20H18N4O3362.388-5.7793 ChemrytIQ
100-41-4highhighhighC8H10106.167-2.68 ChemrytIQ
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100-69-6nonenonenoneC7H7N105.14-4.4598 ChemrytIQ
1000-86-8nonenonenoneC7H1296.1723-10.397 ChemrytIQ
1000018-10-9nonenonenoneC7H8N2OBr2295.962-5.2121 ChemrytIQ
1000-40-4highnonelowC10H24S2Sn327.143-7.0269 ChemrytIQ
1000018-59-6nonenonelowC10H15O2BrS279.197-14.078 ChemrytIQ
1000017-93-5nonenonenoneC8H5N2O2Cl196.5932.9136 ChemrytIQ
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