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1000017 93 5 | Cheminformatics

Chemical : 5-Chloroimidazo[1,2-a]pyridine-2-carboxylic acid

Casrn : 1000017-93-5

MolName : 5-Chloroimidazo[1,2-a]pyridine-2-carboxylic acid

MolecularFormula : C8H5N2O2Cl

Smiles : OC(c1cn2c(Cl)cccc2n1)=O

InChI : InChI=1S/C8H5ClN2O2/c9-6-2-1-3-7-10-5(8(12)13)4-11(6)7/h1-4H,(H,12,13)

InChIK : TVUHAHMCORHJBN-UHFFFAOYSA-N

CanonicalSyTyLFy : ad6d73908227c8e0

TotalMolweight : 196.593

Molweight : 196.593

MonoisotopicMass : 196.003955

CLogP : 0.6742

CLogS : -3.433

H Acceptors : 4

H Donors : 1

TotalSurfaceArea : 136.79

Relative PSA : 0.32941

PolarSurfaceArea : 54.6

Druglikeness : 2.9136

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.53846

Molecula Flexibility : 0.18874

Molecular Complexity : 0.74577

Fragments : 1

Non HAtoms : 13

NonCHAtoms : 5

Electronegative Atoms : 5

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
1000018-59-6nonenonelowC10H15O2BrS279.197-14.078
1000171-05-0nonenonenoneC27H37O3P440.562-24.592
100-61-8highnonenoneC7H9N107.155-0.23765
100012-49-5nonenonenoneC10H2O4Br4505.738-8.4981
10001-08-8nonenonehighC11H22N2O198.309-3.1037
1000-69-7highnonelowC7H18SSn252.996-9.6969
100016-73-7highhighhighC6H5OCl.C10H16O.CH2O152.236-3.7075
100004-81-7nonenonenoneC13H11NO3229.234-1.3547
100010-02-4nonenonenoneC14H23NO221.343-6.1109
100031-76-3nonenonenoneC30H44NO8P577.652-46.719
100-85-6nonenonenoneHO.C10H16N150.244-2.6575
100011-00-5nonenonenoneC15H24O2236.354-18.044
100-77-6nonenonenoneC6H4N2Cl.Cl139.565-4.1248
100-94-7nonenonenoneCl.C16H20N226.342-1.9788
100031-88-7nonenonehighC10H30O3Si4310.689-53.619
1000018-70-1nonenonenoneC15H18N2O6322.316-6.5762
100-18-5nonenonenoneC12H18162.275-2.5088
100020-34-6nonenonenoneC13H18S2238.418-0.23079
10002-37-6nonenonenoneC9H16N2O168.239-3.8085
100019-64-5nonenonenoneC9H10N2O7FP308.157-34.083
100032-79-9nonehighnoneC6H6N3O2Br.HCl232.037-11.653
100-01-6nonenonenoneC6H6N2O2138.126-7.2389
1000339-51-4nonenonenoneC7H4NO4F185.11-8.2861
100-83-4highnonelowC7H6O2122.123-4.1407
100-46-9nonenonenoneC7H9N107.155-2.0712
017257-81-7nonenonenoneC6H10O2114.1430.9106
1000018-48-3nonenonenoneC12H15NO4S269.321.5148
100-13-0nonenonelowC8H7NO2149.149-10.212
10002-06-9nonenonenoneC10H8N3ClS237.7142.0874
1000-00-6nonenonehighC10H26OSi2218.487-62.76
100007-57-6nonenonenoneC72H113N19O24S61821.19-13.821
1000-87-9nonenonenoneC7H1296.1723-2.6557
10001-46-4nonenonenoneC9H11N3O3209.2041.9565
100-95-8nonenonenoneCl.C23H41N2O361.592-17.647
100-82-3nonenonenoneC7H8NF125.146-3.4112
100003-81-4highhighnoneC8H7N2OClS214.6761.4208
1000269-51-1nonenonenoneC13H12NO4B257.052-12.285
1000-50-6nonenonehighC6H15ClSi150.724-84.768
100-69-6nonenonenoneC7H7N105.14-4.4598
100-29-8nonenonenoneC8H9NO3167.163-8.928
100009-92-5nonenonenoneC20H23NO4341.4064.6216
100008-89-7nonenonenoneC11H10N4O3246.225-1.8465
100017-22-9highhighhighC5H8O2100.117-8.1063
100-54-9nonenonenoneC6H4N2104.112-6.0498
100031-92-3nonenonehighC10H30OSi4278.691-53.619
100005-68-3nonenonenoneC13H12O4232.234-4.9451
1000-84-6nonenonehighC4H9NO87.1215-6.3779
1000018-51-8nonenonenoneC10H10N2O2S2254.3331.3137
100-89-0nonenonelowC18H36O6B2370.1-16.157
100-38-9nonenonehighC6H15NS133.2580.17671
100-81-2nonenonenoneC8H11N121.182-2.1005
100021-05-4nonenonenoneC21H28O2312.4510.95307
100-17-4nonenonenoneC7H7NO3153.137-7.2945
100-07-2highhighlowC8H7O2Cl170.595-10.49
10000-20-1nonelowhighC12H32N2Si2260.572-64.51
100005-01-4nonenonehighC8H21BrSSi2285.397-52.815
1000-58-4highhighhighC4H8Cl4Si226.006-54.611
1000018-10-9nonenonenoneC7H8N2OBr2295.962-5.2121
100005-12-7nonenonelowC11H10NCl191.662.2675
1000018-50-7nonenonenoneC13H16N2O4264.28-7.3568