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1000018 56 3 | Cheminformatics

Chemical : 6-Bromoimidazo[1,2-a]pyrazine-2-carboxylic acid

Casrn : 1000018-56-3

MolName : 6-Bromoimidazo[1,2-a]pyrazine-2-carboxylic acid

MolecularFormula : C7H4N3O2Br

Smiles : OC(c1cn(cc(nc2)Br)c2n1)=O

InChI : InChI=1S/C7H4BrN3O2/c8-5-3-11-2-4(7(12)13)10-6(11)1-9-5/h1-3H,(H,12,13)

InChIK : KEMAWFHELKESRS-UHFFFAOYSA-N

CanonicalSyTyLFy : 33eea672514db486

TotalMolweight : 242.032

Molweight : 242.032

MonoisotopicMass : 240.948688

CLogP : -0.2075

CLogS : -2.736

H Acceptors : 5

H Donors : 1

TotalSurfaceArea : 138.76

Relative PSA : 0.40379

PolarSurfaceArea : 67.49

Druglikeness : -0.39052

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.61538

Molecula Flexibility : 0.18874

Molecular Complexity : 0.72942

Fragments : 1

Non HAtoms : 13

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 1

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 2

Aromatic Atoms : 9

Sp3Atoms : 1

Aromatic Nitrogens : 3

BasicNitrogens : 1

AcidicOxygens : 1

StereoCon :

CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
1000160-97-3nonenonenoneC24H28N2O3.C11H8O3392.4971.9926
1000284-35-4nonenonehighC16H24O4280.363-11.936
100-87-8nonenonenoneC7H8O3S172.204-10.732
1000304-40-4nonenonenoneC11H17NO179.2622.2651
1000339-32-1nonenonenoneC11H14NF179.2370.6275
100011-00-5nonenonenoneC15H24O2236.354-18.044
10001-13-5nonenonehighC12H22N2O210.323.9217
100-94-7nonenonenoneCl.C16H20N226.342-1.9788
10001-43-1nonenonenoneC15H18N6O2314.3484.1828
100012-49-5nonenonenoneC10H2O4Br4505.738-8.4981
100004-94-2nonenonenoneC13H11NO2213.235-1.5864
100009-23-2nonenonehighC17H22226.362-9.7346
1000018-52-9nonenonenoneC11H12N2O2S2268.361.3179
100-02-7nonenonenoneC6H5NO3139.11-7.5665
100-15-2nonehighnoneC7H8N2O2152.153-5.7806
100-75-4highhighhighC5H10N2O114.147-0.86877
10-18-2004nonenonenoneC6H8OS2160.261-3.1913
100-54-9nonenonenoneC6H4N2104.112-6.0498
100-39-0highhighnoneC7H7Br171.037-7.8241
100002-29-7nonenonenoneC12H18N2O3238.2862.8956
100028-43-1nonenonenoneBr.C21H35N2315.523-2.5218
100007-40-7nonenonenoneC31H42N4O7582.695-0.42167
100-40-3nonenonehighC8H12108.183-9.1684
100021-05-4nonenonenoneC21H28O2312.4510.95307
100022-13-7nonenonenoneHCl.C20H21NO4339.392.3133
1000018-49-4nonenonenoneC14H19NO5S313.3732.5797
100033-12-3nonenonenoneC11H10N3O2Br296.123-13.354
100010-99-9nonenonenoneC11H24O2188.31-23.185
1000018-56-3nonenonenoneC7H4N3O2Br242.032-0.39052
100003-85-8highhighnoneC13H8N2OCl2S311.1921.0858
100-56-1highlowlowC6H5ClHg313.149-2.3575
1000018-07-4nonenonenoneC14H13N3O239.2771.9531
100021-84-9highhighhighH3O4P.C18H36O2.C2H8N2284.482-25.216
100-17-4nonenonenoneC7H7NO3153.137-7.2945
100-05-0nonenonenoneCl.C6H4N3O2150.117-9.1371
100019-64-5nonenonenoneC9H10N2O7FP308.157-34.083
100008-90-0nonenonenoneC12H11N3O3245.237-1.9187
100021-81-6nonenonenoneH3O4P.C20H42N2O326.566-22.282
100-83-4highnonelowC7H6O2122.123-4.1407
1000339-45-6nonenonehighC8H14O2F2180.193-28.199
1000018-13-2nonenonenoneC11H14NO2Br272.141-5.4951
100031-98-9nonenonehighC12H29O4F3Si4406.696-100.78
100020-94-8highnonelowC12H17OCl212.719-11.962
100-11-8lowhighnoneC7H6NO2Br216.034-13.162
1000289-40-6nonenonenoneC7H4N2Br2S307.997-2.2608
100-86-7nonenonenoneC10H14O150.22-2.4187
1000335-27-2nonenonenoneC10H15N4OCl242.7090.81574
1000068-25-6nonenonenoneC13H15NO4BF279.074-46.077
1000018-40-5lowhighnoneC11H16N2O2S240.3261.4856
100-90-3nonenonenoneC14H16N4O3S320.3724.7301
1000068-26-7nonenonenoneC13H15NO4BF279.074-46.077
1000-56-2nonenonenoneC3H7O4S.Na139.151-6.9141
10-00-4nonenonenoneC28H34O8498.57-4.8409
1000296-70-7nonenonenoneC19H27NO7S3477.6213.1322
1000018-48-3nonenonenoneC12H15NO4S269.321.5148
100007-87-2nonenonenoneC16H9N2OBr325.1640.88714
100-29-8nonenonenoneC8H9NO3167.163-8.928
10002-97-8nonenonenoneC18H30O2278.4340.24997
100018-96-0highhighnoneC20H39O2I438.428-31.232
1000018-70-1nonenonenoneC15H18N2O6322.316-6.5762