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1000017 98 0 | Cheminformatics

Chemical : 8-Bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid

Casrn : 1000017-98-0

MolName : 8-Bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid

MolecularFormula : C8H4N2O2BrCl

Smiles : OC(c1cn(cc(cc2Br)Cl)c2n1)=O

InChI : InChI=1S/C8H4BrClN2O2/c9-5-1-4(10)2-12-3-6(8(13)14)11-7(5)12/h1-3H,(H,13,14)

InChIK : MVFTVGMWGOEQDV-UHFFFAOYSA-N

CanonicalSyTyLFy : a2510ab308ed4d1c

TotalMolweight : 275.489

Molweight : 275.489

MonoisotopicMass : 273.914466

CLogP : 1.302

CLogS : -4.504

H Acceptors : 4

H Donors : 1

TotalSurfaceArea : 155.42

Relative PSA : 0.28992

PolarSurfaceArea : 54.6

Druglikeness : -2.5326

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.57143

Molecula Flexibility : 0.17882

Molecular Complexity : 0.77117

Fragments : 1

Non HAtoms : 14

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 1

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 2

Aromatic Atoms : 9

Sp3Atoms : 1

Aromatic Nitrogens : 2

BasicNitrogens : 1

AcidicOxygens : 1

StereoCon :

CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
10001-30-6nonenonenoneC17H14O4282.294-0.8408
100019-64-5nonenonenoneC9H10N2O7FP308.157-34.083
1000339-28-5nonenonenoneC14H8N2OBrCl335.588-0.59356
100004-93-1nonehighnoneC16H11NO2249.268-1.5746
1000304-40-4nonenonenoneC11H17NO179.2622.2651
1000339-32-1nonenonenoneC11H14NF179.2370.6275
1000017-98-0nonenonenoneC8H4N2O2BrCl275.489-2.5326
100-10-7nonehighhighC9H11NO149.192-1.8715
100004-81-7nonenonenoneC13H11NO3229.234-1.3547
1000269-66-8nonenonenoneC12H20N4220.3190.5423
100-95-8nonenonenoneCl.C23H41N2O361.592-17.647
100-02-7nonenonenoneC6H5NO3139.11-7.5665
100007-57-6nonenonenoneC72H113N19O24S61821.19-13.821
100009-23-2nonenonehighC17H22226.362-9.7346
100-76-5nonenonehighC7H13N111.1873.5517
100027-90-5highhighnoneC20H26N2Cl2.HCl.HCl365.3464.1664
1000018-07-4nonenonenoneC14H13N3O239.2771.9531
100033-12-3nonenonenoneC11H10N3O2Br296.123-13.354
100-27-6lownonenoneC8H9NO3167.163-9.2735
10002-30-9nonenonenoneC12H9NOS215.2750.083087
100031-92-3nonenonehighC10H30OSi4278.691-53.619
100-14-1highhighlowC7H6NO2Cl171.583-7.5061
100008-84-2nonenonenoneC22H14N2O2338.3653.1859
1000-58-4highhighhighC4H8Cl4Si226.006-54.611
100-25-4nonenonenoneC6H4N2O4168.108-7.74
1000339-31-0nonenonehighC12H16NCl209.7190.65299
100-12-9nonenonenoneC8H9NO2151.164-7.7443
1000025-92-2nonenonenoneC20H16N2O2316.359-6.3825
100005-79-6nonenonenoneC12H9NS199.276-2.6106
10000-42-7highhighlowC20H18N4O3362.388-5.7793
100023-32-3highhighnoneCH3O4S.C20H19N2O303.3840.7545
1000-69-7highnonelowC7H18SSn252.996-9.6969
1000-56-2nonenonenoneC3H7O4S.Na139.151-6.9141
1000289-40-6nonenonenoneC7H4N2Br2S307.997-2.2608
1000-05-1nonenonehighC8H26O3Si4282.635-83.299
1000339-26-3nonenonenoneC14H7N2OBrCl2370.033-0.59356
100-00-5nonenonenoneC6H4NO2Cl157.556-7.4592
1000296-70-7nonenonenoneC19H27NO7S3477.6213.1322
100019-40-7nonenonenoneC14H15NO3245.277-1.947
100-34-5nonenonenoneCl.C6H5N2105.12-4.365
100-85-6nonenonenoneHO.C10H16N150.244-2.6575
100009-99-2lowhighnoneC21H25NO4355.4332.9337
1000171-05-0nonenonenoneC27H37O3P440.562-24.592
1000018-13-2nonenonenoneC11H14NO2Br272.141-5.4951
100-77-6nonenonenoneC6H4N2Cl.Cl139.565-4.1248
1000-91-5nonenonehighC5H14OSi118.251-35.679
100-69-6nonenonenoneC7H7N105.14-4.4598
100-62-9lownonenoneC7H7N105.14-1.1924
10001-52-2highhighnoneC11H10N6O3S306.3056.7202
1000269-67-9nonenonenoneC13H22N4234.3460.99367
100-92-5nonenonenoneC11H17N163.2631.1672
100004-94-2nonenonenoneC13H11NO2213.235-1.5864
100010-99-9nonenonenoneC11H24O2188.31-23.185
100-17-4nonenonenoneC7H7NO3153.137-7.2945
100-81-2nonenonenoneC8H11N121.182-2.1005
1000018-49-4nonenonenoneC14H19NO5S313.3732.5797
1000-78-8highlownoneC11H24N2184.326-10.254
100-49-2nonenonenoneC7H14O114.187-9.3679
100-23-2nonehighnoneC8H10N2O2166.179-5.0759
1000018-50-7nonenonenoneC13H16N2O4264.28-7.3568