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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
100-17-4nonenonenoneC7H7NO3153.137-7.2945
1000269-51-1nonenonenoneC13H12NO4B257.052-12.285
100005-01-4nonenonehighC8H21BrSSi2285.397-52.815
100-07-2highhighlowC8H7O2Cl170.595-10.49
100-09-4nonenonenoneC8H8O3152.149-1.597
1000339-24-1nonenonenoneC7H4NOF137.113-7.3916
1000018-70-1nonenonenoneC15H18N2O6322.316-6.5762
100016-73-7highhighhighC6H5OCl.C10H16O.CH2O152.236-3.7075
100010-02-4nonenonenoneC14H23NO221.343-6.1109
100-65-2highnonenoneC6H7NO109.128-1.548
1000339-28-5nonenonenoneC14H8N2OBrCl335.588-0.59356
100-15-2nonehighnoneC7H8N2O2152.153-5.7806
1000-36-8nonenonenoneC11H25O3P236.29-27.011
10-35-5nonenonenoneC4H6O2BrF184.992-23.473
100021-84-9highhighhighH3O4P.C18H36O2.C2H8N2284.482-25.216
10003-94-8nonenonenoneC9H16N2O18P4564.118-31.509
1000-23-3highhighlowC4H6O4Cl2Sn307.704-8.6766
100019-40-7nonenonenoneC14H15NO3245.277-1.947
100-10-7nonehighhighC9H11NO149.192-1.8715
1000303-67-2nonenonenoneC6H8N2O124.1432.717
1000-63-1nonenonehighC8H18O130.23-19.78
100-32-3nonenonenoneC12H8N2O4S2308.338-7.3436
1000-05-1nonenonehighC8H26O3Si4282.635-83.299
100004-80-6nonenonenoneC13H11NO3229.234-1.3547
100-38-9nonenonehighC6H15NS133.2580.17671
100-77-6nonenonenoneC6H4N2Cl.Cl139.565-4.1248
1000-77-7highhighnoneHCl.C6H15NO6S2261.3181.5333
1000058-38-7nonenonenoneC11H12N2O2204.228-4.6529
100-86-7nonenonenoneC10H14O150.22-2.4187
100-22-1highhighnoneC10H16N2164.2510.40939
1000-68-6nonenonenoneC3H9NO3S2171.24-3.0843
100-23-2nonehighnoneC8H10N2O2166.179-5.0759
100007-40-7nonenonenoneC31H42N4O7582.695-0.42167
100-02-7nonenonenoneC6H5NO3139.11-7.5665
100-82-3nonenonenoneC7H8NF125.146-3.4112
10001-46-4nonenonenoneC9H11N3O3209.2041.9565
100-21-0highnonehighC8H6O4166.132-1.8442
100004-92-0nonenonenoneC16H11NO2249.268-1.5746
100009-23-2nonenonehighC17H22226.362-9.7346
100-89-0nonenonelowC18H36O6B2370.1-16.157
1000296-70-7nonenonenoneC19H27NO7S3477.6213.1322
1000-46-0nonenonenoneC7H18Ge174.83-4.6976
1000339-45-6nonenonehighC8H14O2F2180.193-28.199
100007-55-4nonenonenoneC35H39O19763.676-1.2907
100018-96-0highhighnoneC20H39O2I438.428-31.232
1000018-44-9nonenonenoneC13H16N2O5280.279-2.3885
1000018-39-2highhighlowC13H20N2O2S268.381.9315
100-46-9nonenonenoneC7H9N107.155-2.0712
1000269-71-5nonenonehighC12H18N2O2222.287-10.925
100004-54-4nonehighnoneC4H8Te183.708-3.9699
100-25-4nonenonenoneC6H4N2O4168.108-7.74
100-67-4nonenonenoneK.C6H5O93.1047-2.2548
100009-99-2lowhighnoneC21H25NO4355.4332.9337
100-90-3nonenonenoneC14H16N4O3S320.3724.7301
100-79-8nonelownoneC6H12O3132.158-9.8672
1000-56-2nonenonenoneC3H7O4S.Na139.151-6.9141
100001-06-7nonenonenoneI.C20H28NO298.448-2.3411
1000018-59-6nonenonelowC10H15O2BrS279.197-14.078
100-11-8lowhighnoneC7H6NO2Br216.034-13.162
1000339-55-8nonenonenoneC9H7O2F3204.147-12.197