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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
1000-83-5lowhighhighC2H6N2OS106.149-2.264
100-54-9nonenonenoneC6H4N2104.112-6.0498
1000-68-6nonenonenoneC3H9NO3S2171.24-3.0843
100-44-7highhighnoneC7H7Cl126.586-2.365
100-18-5nonenonenoneC12H18162.275-2.5088
100021-05-4nonenonenoneC21H28O2312.4510.95307
1000339-28-5nonenonenoneC14H8N2OBrCl335.588-0.59356
100-28-7highlowlowC7H4N2O3164.12-21.552
1000269-51-1nonenonenoneC13H12NO4B257.052-12.285
1000296-71-8nonenonehighC19H27NO8S3493.62-2.9952
100-55-0nonenonenoneC6H7NO109.128-1.9045
100-41-4highhighhighC8H10106.167-2.68
1000269-71-5nonenonehighC12H18N2O2222.287-10.925
100-23-2nonehighnoneC8H10N2O2166.179-5.0759
1000018-26-7nonenonenoneC16H23NO3277.363-15.052
100-70-9nonenonenoneC6H4N2104.112-6.0498
1000279-69-5nonenonenoneC20H19N2O3ClS402.9015.7907
100033-12-3nonenonenoneC11H10N3O2Br296.123-13.354
1000120-98-8highnonehighC230H305N67O122P19S197158.06-20.81
10003-94-8nonenonenoneC9H16N2O18P4564.118-31.509
10-18-2004nonenonenoneC6H8OS2160.261-3.1913
1000269-65-7nonenonenoneC12H19N3205.3040.25629
100009-23-2nonenonehighC17H22226.362-9.7346
1000017-94-6nonenonenoneC8H5N2O2Cl196.5932.9136
100007-67-8highnonelowC5H7OClF2156.559-12.702
1000025-59-1nonenonenoneC14H11O3Cl262.691-1.449
100-76-5nonenonehighC7H13N111.1873.5517
100010-00-2nonenonenoneC20H23NO5357.405-3.7157
100-62-9lownonenoneC7H7N105.14-1.1924
100-21-0highnonehighC8H6O4166.132-1.8442
1000068-25-6nonenonenoneC13H15NO4BF279.074-46.077
1000-70-0nonelowhighC7H18N2Si2186.406-43.673
100-14-1highhighlowC7H6NO2Cl171.583-7.5061
1000018-56-3nonenonenoneC7H4N3O2Br242.032-0.39052
100-64-1highhighnoneC6H11NO113.159-6.4182
1000-67-5nonenonehighC4H9O4S.Na153.177-10.412
100020-83-5nonenonelowC7H11O3B153.972-20.814
1000269-67-9nonenonenoneC13H22N4234.3460.99367
100018-96-0highhighnoneC20H39O2I438.428-31.232
100-79-8nonelownoneC6H12O3132.158-9.8672
1000-22-2lowhighlowC6H14O2FPS200.213-11.052
100021-84-9highhighhighH3O4P.C18H36O2.C2H8N2284.482-25.216
100-50-5nonenonehighC7H10O110.155-9.6048
100032-79-9nonehighnoneC6H6N3O2Br.HCl232.037-11.653
100013-07-8nonenonenoneC18H32B.Li259.263-11.013
100-89-0nonenonelowC18H36O6B2370.1-16.157
1000303-67-2nonenonenoneC6H8N2O124.1432.717
1000339-51-4nonenonenoneC7H4NO4F185.11-8.2861
10002-37-6nonenonenoneC9H16N2O168.239-3.8085
100-56-1highlowlowC6H5ClHg313.149-2.3575
1000166-63-1nonehighnoneC20H23N8O2Br487.361-0.90793
1000-86-8nonenonenoneC7H1296.1723-10.397
100-95-8nonenonenoneCl.C23H41N2O361.592-17.647
100-47-0highnonehighC7H5N103.124-6.0498
1000018-48-3nonenonenoneC12H15NO4S269.321.5148
100-39-0highhighnoneC7H7Br171.037-7.8241
100004-81-7nonenonenoneC13H11NO3229.234-1.3547
1000018-50-7nonenonenoneC13H16N2O4264.28-7.3568
100-91-4nonenonehighC17H25NO3291.393.3475
100-68-5nonenonenoneC7H8S124.207-1.735