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1000017 97 9 | Cheminformatics

Chemical : Ethyl 5-aminoimidazo[1,2-a]pyridine-2-carboxylate

Casrn : 1000017-97-9

MolName : Ethyl 5-aminoimidazo[1,2-a]pyridine-2-carboxylate

MolecularFormula : C10H11N3O2

Smiles : CCOC(c1cn2c(N)cccc2n1)=O

InChI : InChI=1S/C10H11N3O2/c1-2-15-10(14)7-6-13-8(11)4-3-5-9(13)12-7/h3-6H,2,11H2,1H3

InChIK : SDHJUHBOHSJBEH-UHFFFAOYSA-N

CanonicalSyTyLFy : 1c4ec94aeeb63f83

TotalMolweight : 205.216

Molweight : 205.216

MonoisotopicMass : 205.085127

CLogP : 0.6495

CLogS : -3.963

H Acceptors : 5

H Donors : 1

TotalSurfaceArea : 159.56

Relative PSA : 0.35867

PolarSurfaceArea : 69.62

Druglikeness : -1.3937

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.6

Molecula Flexibility : 0.24979

Molecular Complexity : 0.75973

Fragments : 1

Non HAtoms : 15

NonCHAtoms : 5

Electronegative Atoms : 5

Rotatable Bond : 3

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 2

Aromatic Atoms : 9

Sp3Atoms : 3

Aromatic Nitrogens : 2

BasicNitrogens : 1

StereoCon :

CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
100005-01-4nonenonehighC8H21BrSSi2285.397-52.815
1000339-29-6nonenonenoneC14H15N2OBr307.19-5.8756
100-74-3highnonehighC6H13NO115.1753.7593
100-91-4nonenonehighC17H25NO3291.393.3475
100022-13-7nonenonenoneHCl.C20H21NO4339.392.3133
100007-67-8highnonelowC5H7OClF2156.559-12.702
1000-57-3highnonelowC6H16SSn238.969-7.4261
1000017-93-5nonenonenoneC8H5N2O2Cl196.5932.9136
1000339-13-8lownonelowC7H10NO4ClS239.678-21.883
100-09-4nonenonenoneC8H8O3152.149-1.597
10-35-5nonenonenoneC4H6O2BrF184.992-23.473
100021-84-9highhighhighH3O4P.C18H36O2.C2H8N2284.482-25.216
100021-79-2nonehighhighC16H32O2.C2H8N2256.428-25.216
100-93-6highhighhighC19H18N2O2S338.43-12.848
100-59-4nonenonenoneCl.C6H5Mg101.411-2.3575
100-97-0highhighhighC6H12N4140.1891.5849
100-75-4highhighhighC5H10N2O114.147-0.86877
10-31-2001nonenonenoneC21H28NO6P421.428-10.542
100031-92-3nonenonehighC10H30OSi4278.691-53.619
100-57-2highlowlowC6H6OHg294.703-2.3891
100-25-4nonenonenoneC6H4N2O4168.108-7.74
1000018-10-9nonenonenoneC7H8N2OBr2295.962-5.2121
017257-81-7nonenonenoneC6H10O2114.1430.9106
10000-42-7highhighlowC20H18N4O3362.388-5.7793
1000284-35-4nonenonehighC16H24O4280.363-11.936
100-23-2nonehighnoneC8H10N2O2166.179-5.0759
1000339-55-8nonenonenoneC9H7O2F3204.147-12.197
100010-00-2nonenonenoneC20H23NO5357.405-3.7157
10001-43-1nonenonenoneC15H18N6O2314.3484.1828
10-18-2004nonenonenoneC6H8OS2160.261-3.1913
100002-29-7nonenonenoneC12H18N2O3238.2862.8956
1000339-26-3nonenonenoneC14H7N2OBrCl2370.033-0.59356
100004-80-6nonenonenoneC13H11NO3229.234-1.3547
10003-94-8nonenonenoneC9H16N2O18P4564.118-31.509
100-26-5nonenonenoneC7H5NO4167.12-1.5746
1000018-26-7nonenonenoneC16H23NO3277.363-15.052
1000269-65-7nonenonenoneC12H19N3205.3040.25629
100-49-2nonenonenoneC7H14O114.187-9.3679
1000068-65-4nonenonenoneC13H15NO4BF279.074-46.077
1000018-39-2highhighlowC13H20N2O2S268.381.9315
1000339-51-4nonenonenoneC7H4NO4F185.11-8.2861
1000152-84-0nonenonenoneC6H2NBr2F3304.891-10.75
100-71-0nonenonenoneC7H9N107.155-2.2725
1000018-25-6nonenonenoneC13H24N2O6S336.408-32.405
100-99-2nonenonelowC12H27Al198.328-22.009
100-39-0highhighnoneC7H7Br171.037-7.8241
1000-77-7highhighnoneHCl.C6H15NO6S2261.3181.5333
100016-73-7highhighhighC6H5OCl.C10H16O.CH2O152.236-3.7075
100027-27-8nonenonenoneCH3I.C20H24N2292.4253.4994
100-68-5nonenonenoneC7H8S124.207-1.735
1000296-71-8nonenonehighC19H27NO8S3493.62-2.9952
100-48-1nonenonenoneC6H4N2104.112-6.0498
1000018-22-3nonenonenoneC16H22N3O4Br400.272-33.051
1000-46-0nonenonenoneC7H18Ge174.83-4.6976
100004-94-2nonenonenoneC13H11NO2213.235-1.5864
1000339-36-5nonenonenoneC16H19NO3S305.397-3.4866
1000017-97-9nonenonenoneC10H11N3O2205.216-1.3937
100031-88-7nonenonehighC10H30O3Si4310.689-53.619
1000018-07-4nonenonenoneC14H13N3O239.2771.9531
100-02-7nonenonenoneC6H5NO3139.11-7.5665