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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
100010-00-2nonenonenoneC20H23NO5357.405-3.7157
10001-08-8nonenonehighC11H22N2O198.309-3.1037
100-00-5nonenonenoneC6H4NO2Cl157.556-7.4592
10001-43-1nonenonenoneC15H18N6O2314.3484.1828
1000-70-0nonelowhighC7H18N2Si2186.406-43.673
100032-79-9nonehighnoneC6H6N3O2Br.HCl232.037-11.653
100-76-5nonenonehighC7H13N111.1873.5517
1000-69-7highnonelowC7H18SSn252.996-9.6969
100005-44-5highnonelowC7H5O2ClS188.634-11.771
1000068-42-7nonenonenoneC10H11NO3BrFS324.169-2.2263
10001-82-8nonenonenoneC24H26N4O5S482.5599.4242
100028-43-1nonenonenoneBr.C21H35N2315.523-2.5218
100020-34-6nonenonenoneC13H18S2238.418-0.23079
100023-32-3highhighnoneCH3O4S.C20H19N2O303.3840.7545
100008-89-7nonenonenoneC11H10N4O3246.225-1.8465
1000-84-6nonenonehighC4H9NO87.1215-6.3779
10001-52-2highhighnoneC11H10N6O3S306.3056.7202
1000-28-8nonenonenoneC6H3OF11300.067-44.343
100019-40-7nonenonenoneC14H15NO3245.277-1.947
100-91-4nonenonehighC17H25NO3291.393.3475
1000-90-4nonenonenoneZn.C4H7OS2.C4H7OS2135.231-2.7683
100-96-9highnonenoneC7H10N2O138.169-1.7412
1000-87-9nonenonenoneC7H1296.1723-2.6557
100-07-2highhighlowC8H7O2Cl170.595-10.49
1000018-25-6nonenonenoneC13H24N2O6S336.408-32.405
100005-01-4nonenonehighC8H21BrSSi2285.397-52.815
10001-51-1nonenonenoneC9H18N2O170.2555.9677
100009-99-2lowhighnoneC21H25NO4355.4332.9337
100-86-7nonenonenoneC10H14O150.22-2.4187
100-73-2highnonenoneC6H8O2112.128-6.3422
100-41-4highhighhighC8H10106.167-2.68
10-13-2009nonenonenoneC15H14O5274.271-1.4702
1000-82-4lowhighhighC2H6N2O290.08160.41759
100031-76-3nonenonenoneC30H44NO8P577.652-46.719
100020-95-9highnonelowC12H17OCl212.719-11.962
100-18-5nonenonenoneC12H18162.275-2.5088
100-85-6nonenonenoneHO.C10H16N150.244-2.6575
100-67-4nonenonenoneK.C6H5O93.1047-2.2548
100-87-8nonenonenoneC7H8O3S172.204-10.732
1000339-31-0nonenonehighC12H16NCl209.7190.65299
10-00-4nonenonenoneC28H34O8498.57-4.8409
10002-30-9nonenonenoneC12H9NOS215.2750.083087
100-17-4nonenonenoneC7H7NO3153.137-7.2945
1000339-26-3nonenonenoneC14H7N2OBrCl2370.033-0.59356
1000-91-5nonenonehighC5H14OSi118.251-35.679
100005-68-3nonenonenoneC13H12O4232.234-4.9451
100007-67-8highnonelowC5H7OClF2156.559-12.702
100007-87-2nonenonenoneC16H9N2OBr325.1640.88714
1000296-70-7nonenonenoneC19H27NO7S3477.6213.1322
100009-92-5nonenonenoneC20H23NO4341.4064.6216
1000018-22-3nonenonenoneC16H22N3O4Br400.272-33.051
1000-05-1nonenonehighC8H26O3Si4282.635-83.299
100-50-5nonenonehighC7H10O110.155-9.6048
100004-80-6nonenonenoneC13H11NO3229.234-1.3547
100-61-8highnonenoneC7H9N107.155-0.23765
10-18-2004nonenonenoneC6H8OS2160.261-3.1913
100-71-0nonenonenoneC7H9N107.155-2.2725
1000171-05-0nonenonenoneC27H37O3P440.562-24.592
1000017-98-0nonenonenoneC8H4N2O2BrCl275.489-2.5326
100002-29-7nonenonenoneC12H18N2O3238.2862.8956