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1000068 42 7 | Cheminformatics

Chemical : 4-(4-Bromo-2-fluorobenzene-1-sulfonyl)morpholine

Casrn : 1000068-42-7

MolName : 4-(4-Bromo-2-fluorobenzene-1-sulfonyl)morpholine

MolecularFormula : C10H11NO3BrFS

Smiles : O=S(c(ccc(Br)c1)c1F)(N1CCOCC1)=O

InChI : InChI=1S/C10H11BrFNO3S/c11-8-1-2-10(9(12)7-8)17(14,15)13-3-5-16-6-4-13/h1-2,7H,3-6H2

InChIK : BQYQHCWRUSXGLN-UHFFFAOYSA-N

CanonicalSyTyLFy : f4377f1b6148921

TotalMolweight : 324.169

Molweight : 324.169

MonoisotopicMass : 322.962703

CLogP : 1.5284

CLogS : -1.97

H Acceptors : 4

TotalSurfaceArea : 188.66

Relative PSA : 0.22331

PolarSurfaceArea : 54.99

Druglikeness : -2.2263

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.58824

Molecula Flexibility : 0.45532

Molecular Complexity : 0.70898

Fragments : 1

Non HAtoms : 17

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 1

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 6

Symmetricatoms : 3

Amides : 1

StereoCon :

CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
100002-29-7nonenonenoneC12H18N2O3238.2862.8956
1000339-29-6nonenonenoneC14H15N2OBr307.19-5.8756
1000339-22-9nonenonenoneC8H5NO4F2217.127-8.0943
1000018-26-7nonenonenoneC16H23NO3277.363-15.052
100-86-7nonenonenoneC10H14O150.22-2.4187
100-33-4nonenonenoneC19H24N4O2340.426-7.2784
100033-12-3nonenonenoneC11H10N3O2Br296.123-13.354
100-94-7nonenonenoneCl.C16H20N226.342-1.9788
1000-22-2lowhighlowC6H14O2FPS200.213-11.052
1000160-96-2nonenonenoneC24H28N2O3.C2H4O2392.4971.9926
1000-41-5nonenonelowC10H18O154.252-9.05
100009-88-9nonenonenoneC18H45N7359.604-4.1108
100004-94-2nonenonenoneC13H11NO2213.235-1.5864
100021-47-4nonenonenoneC13H17N5O6339.307-2.7249
100-59-4nonenonenoneCl.C6H5Mg101.411-2.3575
1000339-13-8lownonelowC7H10NO4ClS239.678-21.883
100-46-9nonenonenoneC7H9N107.155-2.0712
100-44-7highhighnoneC7H7Cl126.586-2.365
100-71-0nonenonenoneC7H9N107.155-2.2725
100-92-5nonenonenoneC11H17N163.2631.1672
1000339-51-4nonenonenoneC7H4NO4F185.11-8.2861
10-18-2004nonenonenoneC6H8OS2160.261-3.1913
100020-94-8highnonelowC12H17OCl212.719-11.962
1000269-71-5nonenonehighC12H18N2O2222.287-10.925
100031-76-3nonenonenoneC30H44NO8P577.652-46.719
1000269-68-0nonenonenoneC14H24N4248.3730.99367
100031-92-3nonenonehighC10H30OSi4278.691-53.619
1000-70-0nonelowhighC7H18N2Si2186.406-43.673
100018-96-0highhighnoneC20H39O2I438.428-31.232
1000335-27-2nonenonenoneC10H15N4OCl242.7090.81574
100-13-0nonenonelowC8H7NO2149.149-10.212
1000018-25-6nonenonenoneC13H24N2O6S336.408-32.405
100011-00-5nonenonenoneC15H24O2236.354-18.044
100-38-9nonenonehighC6H15NS133.2580.17671
100-09-4nonenonenoneC8H8O3152.149-1.597
100004-93-1nonehighnoneC16H11NO2249.268-1.5746
100-61-8highnonenoneC7H9N107.155-0.23765
10000-20-1nonelowhighC12H32N2Si2260.572-64.51
1000166-63-1nonehighnoneC20H23N8O2Br487.361-0.90793
100005-12-7nonenonelowC11H10NCl191.662.2675
100008-36-4nonenonenoneC17H22O2258.36-5.6379
100033-59-8nonenonenoneC8H16N2140.2290.9406
1000339-52-5nonenonenoneC7H3N2O2F166.111-12.761
1000018-58-5nonenonenoneC6H4NBr2Cl285.366-3.6
100-89-0nonenonelowC18H36O6B2370.1-16.157
100027-27-8nonenonenoneCH3I.C20H24N2292.4253.4994
100028-43-1nonenonenoneBr.C21H35N2315.523-2.5218
100004-54-4nonehighnoneC4H8Te183.708-3.9699
100-90-3nonenonenoneC14H16N4O3S320.3724.7301
1000018-24-5nonenonenoneC12H18N4O3266.3-0.33651
100-17-4nonenonenoneC7H7NO3153.137-7.2945
100-14-1highhighlowC7H6NO2Cl171.583-7.5061
1000018-56-3nonenonenoneC7H4N3O2Br242.032-0.39052
100004-92-0nonenonenoneC16H11NO2249.268-1.5746
100-69-6nonenonenoneC7H7N105.14-4.4598
100005-79-6nonenonenoneC12H9NS199.276-2.6106
1000017-93-5nonenonenoneC8H5N2O2Cl196.5932.9136
100020-34-6nonenonenoneC13H18S2238.418-0.23079
100-53-8nonehighhighC7H8S124.207-6.3177
100-39-0highhighnoneC7H7Br171.037-7.8241