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1000018 06 3 | Cheminformatics

Chemical : 5-Bromo-1-methyl-1H-indazol-3-amine

Casrn : 1000018-06-3

MolName : 5-Bromo-1-methyl-1H-indazol-3-amine

MolecularFormula : C8H8N3Br

Smiles : Cn(c(cc1)c2cc1Br)nc2N

InChI : InChI=1S/C8H8BrN3/c1-12-7-3-2-5(9)4-6(7)8(10)11-12/h2-4H,1H3,(H2,10,11)

InChIK : BKBSBRJIGMVBFM-UHFFFAOYSA-N

CanonicalSyTyLFy : a03e6fa77b10c11c

TotalMolweight : 226.077

Molweight : 226.077

MonoisotopicMass : 224.990158

CLogP : 1.4381

CLogS : -3.319

H Acceptors : 3

H Donors : 1

TotalSurfaceArea : 135.23

Relative PSA : 0.24484

PolarSurfaceArea : 43.84

Druglikeness : 0.34749

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.58333

Molecular Complexity : 0.7937

Fragments : 1

Non HAtoms : 12

NonCHAtoms : 4

Electronegative Atoms : 4

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 2

Aromatic Atoms : 9

Sp3Atoms : 1

Aromatic Nitrogens : 2

BasicNitrogens : 1

StereoCon :

CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
100008-36-4nonenonenoneC17H22O2258.36-5.6379
100010-99-9nonenonenoneC11H24O2188.31-23.185
10-31-2001nonenonenoneC21H28NO6P421.428-10.542
100031-88-7nonenonehighC10H30O3Si4310.689-53.619
100-81-2nonenonenoneC8H11N121.182-2.1005
100008-90-0nonenonenoneC12H11N3O3245.237-1.9187
1000339-27-4nonenonenoneC14H8N3O3Br346.14-5.8142
100-49-2nonenonenoneC7H14O114.187-9.3679
100-69-6nonenonenoneC7H7N105.14-4.4598
1000-50-6nonenonehighC6H15ClSi150.724-84.768
100020-34-6nonenonenoneC13H18S2238.418-0.23079
100-50-5nonenonehighC7H10O110.155-9.6048
100007-62-3nonenonehighC8H13NO139.197-8.1398
1000-41-5nonenonelowC10H18O154.252-9.05
1000284-35-4nonenonehighC16H24O4280.363-11.936
1000166-63-1nonehighnoneC20H23N8O2Br487.361-0.90793
1000339-34-3nonenonenoneC11H12N3OBr282.14-5.9074
100-27-6lownonenoneC8H9NO3167.163-9.2735
1000018-51-8nonenonenoneC10H10N2O2S2254.3331.3137
1000018-25-6nonenonenoneC13H24N2O6S336.408-32.405
1000-91-5nonenonehighC5H14OSi118.251-35.679
100001-06-7nonenonenoneI.C20H28NO298.448-2.3411
100-70-9nonenonenoneC6H4N2104.112-6.0498
100-87-8nonenonenoneC7H8O3S172.204-10.732
100020-83-5nonenonelowC7H11O3B153.972-20.814
100010-02-4nonenonenoneC14H23NO221.343-6.1109
100027-27-8nonenonenoneCH3I.C20H24N2292.4253.4994
100-82-3nonenonenoneC7H8NF125.146-3.4112
1000018-40-5lowhighnoneC11H16N2O2S240.3261.4856
100-95-8nonenonenoneCl.C23H41N2O361.592-17.647
1000017-93-5nonenonenoneC8H5N2O2Cl196.5932.9136
10001-82-8nonenonenoneC24H26N4O5S482.5599.4242
10003-42-6nonenonenoneC11H11NO4221.211-4.7046
100-07-2highhighlowC8H7O2Cl170.595-10.49
10001-43-1nonenonenoneC15H18N6O2314.3484.1828
100007-54-3nonenonenoneC28H30O13574.533-1.9839
100-51-6highhighhighC7H8O108.14-2.2456
1000296-71-8nonenonehighC19H27NO8S3493.62-2.9952
100-91-4nonenonehighC17H25NO3291.393.3475
1000068-25-6nonenonenoneC13H15NO4BF279.074-46.077
100004-93-1nonehighnoneC16H11NO2249.268-1.5746
1000-16-4nonenonenoneC13H30NO3P279.359-34.244
1000018-50-7nonenonenoneC13H16N2O4264.28-7.3568
100-59-4nonenonenoneCl.C6H5Mg101.411-2.3575
100-28-7highlowlowC7H4N2O3164.12-21.552
100-61-8highnonenoneC7H9N107.155-0.23765
100007-87-2nonenonenoneC16H9N2OBr325.1640.88714
100-20-9highnonelowC8H4O2Cl2203.024-10.706
100-47-0highnonehighC7H5N103.124-6.0498
100-13-0nonenonelowC8H7NO2149.149-10.212
1000-67-5nonenonehighC4H9O4S.Na153.177-10.412
1000017-97-9nonenonenoneC10H11N3O2205.216-1.3937
100-89-0nonenonelowC18H36O6B2370.1-16.157
100007-57-6nonenonenoneC72H113N19O24S61821.19-13.821
1000018-24-5nonenonenoneC12H18N4O3266.3-0.33651
100-55-0nonenonenoneC6H7NO109.128-1.9045
100-33-4nonenonenoneC19H24N4O2340.426-7.2784
1000-22-2lowhighlowC6H14O2FPS200.213-11.052
100009-92-5nonenonenoneC20H23NO4341.4064.6216
100021-82-7nonenonenoneH3O4P.C18H38N2O298.513-22.282