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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
1000017-97-9nonenonenoneC10H11N3O2205.216-1.3937
1000-23-3highhighlowC4H6O4Cl2Sn307.704-8.6766
100-93-6highhighhighC19H18N2O2S338.43-12.848
1000-16-4nonenonenoneC13H30NO3P279.359-34.244
1000339-36-5nonenonenoneC16H19NO3S305.397-3.4866
100007-87-2nonenonenoneC16H9N2OBr325.1640.88714
100-82-3nonenonenoneC7H8NF125.146-3.4112
10001-08-8nonenonehighC11H22N2O198.309-3.1037
100005-44-5highnonelowC7H5O2ClS188.634-11.771
100009-01-6nonenonenoneC15H13N3O3283.286-2.3895
100-63-0highhighnoneC6H8N2108.144-4.3224
1000339-32-1nonenonenoneC11H14NF179.2370.6275
1000018-48-3nonenonenoneC12H15NO4S269.321.5148
1000018-13-2nonenonenoneC11H14NO2Br272.141-5.4951
100019-64-5nonenonenoneC9H10N2O7FP308.157-34.083
100004-54-4nonehighnoneC4H8Te183.708-3.9699
100-25-4nonenonenoneC6H4N2O4168.108-7.74
100031-76-3nonenonenoneC30H44NO8P577.652-46.719
1000-68-6nonenonenoneC3H9NO3S2171.24-3.0843
100010-00-2nonenonenoneC20H23NO5357.405-3.7157
100-48-1nonenonenoneC6H4N2104.112-6.0498
100-27-6lownonenoneC8H9NO3167.163-9.2735
100010-21-7nonenonenoneC14H21NO219.327-4.2999
1000-30-2nonenonehighC9H16O140.225-7.4662
1000284-53-6nonenonehighC18H36O2284.482-15.583
1000339-34-3nonenonenoneC11H12N3OBr282.14-5.9074
100008-89-7nonenonenoneC11H10N4O3246.225-1.8465
1000-78-8highlownoneC11H24N2184.326-10.254
100-95-8nonenonenoneCl.C23H41N2O361.592-17.647
1000018-49-4nonenonenoneC14H19NO5S313.3732.5797
1000152-84-0nonenonenoneC6H2NBr2F3304.891-10.75
10002-97-8nonenonenoneC18H30O2278.4340.24997
1000339-28-5nonenonenoneC14H8N2OBrCl335.588-0.59356
100-86-7nonenonenoneC10H14O150.22-2.4187
1000-46-0nonenonenoneC7H18Ge174.83-4.6976
100-18-5nonenonenoneC12H18162.275-2.5088
100-01-6nonenonenoneC6H6N2O2138.126-7.2389
1000017-98-0nonenonenoneC8H4N2O2BrCl275.489-2.5326
10002-06-9nonenonenoneC10H8N3ClS237.7142.0874
100-07-2highhighlowC8H7O2Cl170.595-10.49
100-54-9nonenonenoneC6H4N2104.112-6.0498
1000-87-9nonenonenoneC7H1296.1723-2.6557
100005-79-6nonenonenoneC12H9NS199.276-2.6106
1000018-51-8nonenonenoneC10H10N2O2S2254.3331.3137
100-15-2nonehighnoneC7H8N2O2152.153-5.7806
100-51-6highhighhighC7H8O108.14-2.2456
100-14-1highhighlowC7H6NO2Cl171.583-7.5061
100-97-0highhighhighC6H12N4140.1891.5849
100-74-3highnonehighC6H13NO115.1753.7593
100012-49-5nonenonenoneC10H2O4Br4505.738-8.4981
100020-34-6nonenonenoneC13H18S2238.418-0.23079
10001-43-1nonenonenoneC15H18N6O2314.3484.1828
1000339-23-0nonenonenoneC6H5N2O2Br217.022-3.3311
1000339-22-9nonenonenoneC8H5NO4F2217.127-8.0943
1000339-30-9nonenonenoneC8H10N3Cl183.6412.1
100033-28-1lownonehighC6H9N7179.186-2.3035
10003-67-5nonenonenoneC33H62O6554.849-22.973
100-81-2nonenonenoneC8H11N121.182-2.1005
100008-84-2nonenonenoneC22H14N2O2338.3653.1859
1000198-76-4nonenonenoneC11H12NF3215.217-5.8988