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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
100007-62-3nonenonehighC8H13NO139.197-8.1398
1000-77-7highhighnoneHCl.C6H15NO6S2261.3181.5333
100012-67-7highhighhighC12H12O5236.222-19.846
100021-82-7nonenonenoneH3O4P.C18H38N2O298.513-22.282
100008-89-7nonenonenoneC11H10N4O3246.225-1.8465
1000198-76-4nonenonenoneC11H12NF3215.217-5.8988
1000-86-8nonenonenoneC7H1296.1723-10.397
10001-46-4nonenonenoneC9H11N3O3209.2041.9565
100-44-7highhighnoneC7H7Cl126.586-2.365
1000018-59-6nonenonelowC10H15O2BrS279.197-14.078
100005-44-5highnonelowC7H5O2ClS188.634-11.771
100-79-8nonelownoneC6H12O3132.158-9.8672
100-71-0nonenonenoneC7H9N107.155-2.2725
100028-43-1nonenonenoneBr.C21H35N2315.523-2.5218
100-22-1highhighnoneC10H16N2164.2510.40939
1000-23-3highhighlowC4H6O4Cl2Sn307.704-8.6766
100007-55-4nonenonenoneC35H39O19763.676-1.2907
100-51-6highhighhighC7H8O108.14-2.2456
1000068-65-4nonenonenoneC13H15NO4BF279.074-46.077
100-16-3lowhighnoneC6H7N3O2153.141-9.8627
10-35-5nonenonenoneC4H6O2BrF184.992-23.473
100033-12-3nonenonenoneC11H10N3O2Br296.123-13.354
100-02-7nonenonenoneC6H5NO3139.11-7.5665
100004-93-1nonehighnoneC16H11NO2249.268-1.5746
100-13-0nonenonelowC8H7NO2149.149-10.212
100020-95-9highnonelowC12H17OCl212.719-11.962
017257-81-7nonenonenoneC6H10O2114.1430.9106
1000339-24-1nonenonenoneC7H4NOF137.113-7.3916
10000-20-1nonelowhighC12H32N2Si2260.572-64.51
1000-22-2lowhighlowC6H14O2FPS200.213-11.052
100-33-4nonenonenoneC19H24N4O2340.426-7.2784
100021-85-0nonehighhighH3O4P.C16H32O2.C2H8N2256.428-25.216
1000339-32-1nonenonenoneC11H14NF179.2370.6275
100-20-9highnonelowC8H4O2Cl2203.024-10.706
10-00-4nonenonenoneC28H34O8498.57-4.8409
1000-44-8highhighlowC7H7Cl126.586-8.5908
100-27-6lownonenoneC8H9NO3167.163-9.2735
1000018-70-1nonenonenoneC15H18N2O6322.316-6.5762
10003-94-8nonenonenoneC9H16N2O18P4564.118-31.509
10003-67-5nonenonenoneC33H62O6554.849-22.973
1000025-92-2nonenonenoneC20H16N2O2316.359-6.3825
100007-67-8highnonelowC5H7OClF2156.559-12.702
100-68-5nonenonenoneC7H8S124.207-1.735
1000-84-6nonenonehighC4H9NO87.1215-6.3779
100-28-7highlowlowC7H4N2O3164.12-21.552
100021-81-6nonenonenoneH3O4P.C20H42N2O326.566-22.282
1000018-25-6nonenonenoneC13H24N2O6S336.408-32.405
100-49-2nonenonenoneC7H14O114.187-9.3679
100-82-3nonenonenoneC7H8NF125.146-3.4112
1000339-33-2nonenonenoneC10H11NClF199.6550.76
1000-36-8nonenonenoneC11H25O3P236.29-27.011
100-59-4nonenonenoneCl.C6H5Mg101.411-2.3575
1000010-11-6nonenonenoneC28H44N2O2440.669-21.689
100-34-5nonenonenoneCl.C6H5N2105.12-4.365
100012-49-5nonenonenoneC10H2O4Br4505.738-8.4981
100-97-0highhighhighC6H12N4140.1891.5849
10003-42-6nonenonenoneC11H11NO4221.211-4.7046
1000339-36-5nonenonenoneC16H19NO3S305.397-3.4866
100002-29-7nonenonenoneC12H18N2O3238.2862.8956
100004-78-2nonenonenoneC16H11NO2249.268-1.5746