Chemryt - We contribute to the Chemicals, Pharmaceutical & Biotech industry using information technology

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
1000-36-8nonenonenoneC11H25O3P236.29-27.011
10000-20-1nonelowhighC12H32N2Si2260.572-64.51
10-31-2001nonenonenoneC21H28NO6P421.428-10.542
100020-94-8highnonelowC12H17OCl212.719-11.962
1000339-24-1nonenonenoneC7H4NOF137.113-7.3916
1000-43-7highhighhighC8H18Cl2Si213.223-31.848
1000198-76-4nonenonenoneC11H12NF3215.217-5.8988
100-92-5nonenonenoneC11H17N163.2631.1672
1000018-13-2nonenonenoneC11H14NO2Br272.141-5.4951
1000025-92-2nonenonenoneC20H16N2O2316.359-6.3825
100-48-1nonenonenoneC6H4N2104.112-6.0498
100008-89-7nonenonenoneC11H10N4O3246.225-1.8465
100004-92-0nonenonenoneC16H11NO2249.268-1.5746
100021-05-4nonenonenoneC21H28O2312.4510.95307
1000-58-4highhighhighC4H8Cl4Si226.006-54.611
100-70-9nonenonenoneC6H4N2104.112-6.0498
100-96-9highnonenoneC7H10N2O138.169-1.7412
10003-95-9nonenonenoneC10H18N2O17P4562.146-25.989
100-85-6nonenonenoneHO.C10H16N150.244-2.6575
1000339-22-9nonenonenoneC8H5NO4F2217.127-8.0943
1000018-40-5lowhighnoneC11H16N2O2S240.3261.4856
100-01-6nonenonenoneC6H6N2O2138.126-7.2389
1000339-29-6nonenonenoneC14H15N2OBr307.19-5.8756
100003-85-8highhighnoneC13H8N2OCl2S311.1921.0858
100009-23-2nonenonehighC17H22226.362-9.7346
1000018-48-3nonenonenoneC12H15NO4S269.321.5148
100016-73-7highhighhighC6H5OCl.C10H16O.CH2O152.236-3.7075
1000-67-5nonenonehighC4H9O4S.Na153.177-10.412
100-97-0highhighhighC6H12N4140.1891.5849
1000018-50-7nonenonenoneC13H16N2O4264.28-7.3568
1000018-23-4nonenonenoneC12H17N3O3251.2852.8124
100-62-9lownonenoneC7H7N105.14-1.1924
100004-54-4nonehighnoneC4H8Te183.708-3.9699
100-16-3lowhighnoneC6H7N3O2153.141-9.8627
1000339-45-6nonenonehighC8H14O2F2180.193-28.199
100-56-1highlowlowC6H5ClHg313.149-2.3575
100009-92-5nonenonenoneC20H23NO4341.4064.6216
100-50-5nonenonehighC7H10O110.155-9.6048
100-57-2highlowlowC6H6OHg294.703-2.3891
1000010-11-6nonenonenoneC28H44N2O2440.669-21.689
100-11-8lowhighnoneC7H6NO2Br216.034-13.162
100-40-3nonenonehighC8H12108.183-9.1684
1000025-59-1nonenonenoneC14H11O3Cl262.691-1.449
100020-83-5nonenonelowC7H11O3B153.972-20.814
100-33-4nonenonenoneC19H24N4O2340.426-7.2784
100-29-8nonenonenoneC8H9NO3167.163-8.928
100021-81-6nonenonenoneH3O4P.C20H42N2O326.566-22.282
1000-16-4nonenonenoneC13H30NO3P279.359-34.244
017257-81-7nonenonenoneC6H10O2114.1430.9106
1000-83-5lowhighhighC2H6N2OS106.149-2.264
100-22-1highhighnoneC10H16N2164.2510.40939
100-47-0highnonehighC7H5N103.124-6.0498
10002-30-9nonenonenoneC12H9NOS215.2750.083087
10003-73-3nonenonenoneHCl.C7H10N2122.17-2.0712
100-52-7highhighhighC7H6O106.124-4.225
100027-33-6nonenonenoneI.C21H27N2O323.4583.6949
100021-84-9highhighhighH3O4P.C18H36O2.C2H8N2284.482-25.216
1000289-40-6nonenonenoneC7H4N2Br2S307.997-2.2608
100010-02-4nonenonenoneC14H23NO221.343-6.1109
1000068-25-6nonenonenoneC13H15NO4BF279.074-46.077