Chemryt - We contribute to the Chemicals, Pharmaceutical & Biotech industry using information technology

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
1000025-93-3nonenonenoneC20H17NO4335.358-1.6731
1000017-97-9nonenonenoneC10H11N3O2205.216-1.3937
10002-97-8nonenonenoneC18H30O2278.4340.24997
1000171-05-0nonenonenoneC27H37O3P440.562-24.592
1000-90-4nonenonenoneZn.C4H7OS2.C4H7OS2135.231-2.7683
100010-02-4nonenonenoneC14H23NO221.343-6.1109
100-94-7nonenonenoneCl.C16H20N226.342-1.9788
100-39-0highhighnoneC7H7Br171.037-7.8241
100009-01-6nonenonenoneC15H13N3O3283.286-2.3895
1000018-13-2nonenonenoneC11H14NO2Br272.141-5.4951
100-73-2highnonenoneC6H8O2112.128-6.3422
100021-47-4nonenonenoneC13H17N5O6339.307-2.7249
100-79-8nonelownoneC6H12O3132.158-9.8672
1000017-93-5nonenonenoneC8H5N2O2Cl196.5932.9136
1000018-48-3nonenonenoneC12H15NO4S269.321.5148
100005-12-7nonenonelowC11H10NCl191.662.2675
100-04-9nonehighnoneCl.C8H10N3148.188-2.0275
100020-83-5nonenonelowC7H11O3B153.972-20.814
1000025-92-2nonenonenoneC20H16N2O2316.359-6.3825
100031-88-7nonenonehighC10H30O3Si4310.689-53.619
100031-76-3nonenonenoneC30H44NO8P577.652-46.719
1000-23-3highhighlowC4H6O4Cl2Sn307.704-8.6766
1000269-71-5nonenonehighC12H18N2O2222.287-10.925
100008-90-0nonenonenoneC12H11N3O3245.237-1.9187
10-00-4nonenonenoneC28H34O8498.57-4.8409
100004-94-2nonenonenoneC13H11NO2213.235-1.5864
100005-79-6nonenonenoneC12H9NS199.276-2.6106
100004-92-0nonenonenoneC16H11NO2249.268-1.5746
1000339-32-1nonenonenoneC11H14NF179.2370.6275
100-53-8nonehighhighC7H8S124.207-6.3177
100031-92-3nonenonehighC10H30OSi4278.691-53.619
100-69-6nonenonenoneC7H7N105.14-4.4598
100008-36-4nonenonenoneC17H22O2258.36-5.6379
100-34-5nonenonenoneCl.C6H5N2105.12-4.365
1000-30-2nonenonehighC9H16O140.225-7.4662
10003-95-9nonenonenoneC10H18N2O17P4562.146-25.989
1000018-25-6nonenonenoneC13H24N2O6S336.408-32.405
1000018-26-7nonenonenoneC16H23NO3277.363-15.052
100-64-1highhighnoneC6H11NO113.159-6.4182
1000018-50-7nonenonenoneC13H16N2O4264.28-7.3568
100-46-9nonenonenoneC7H9N107.155-2.0712
1000-56-2nonenonenoneC3H7O4S.Na139.151-6.9141
1000-69-7highnonelowC7H18SSn252.996-9.6969
100028-43-1nonenonenoneBr.C21H35N2315.523-2.5218
1000017-98-0nonenonenoneC8H4N2O2BrCl275.489-2.5326
1000-86-8nonenonenoneC7H1296.1723-10.397
1000-70-0nonelowhighC7H18N2Si2186.406-43.673
1000289-40-6nonenonenoneC7H4N2Br2S307.997-2.2608
1000018-59-6nonenonelowC10H15O2BrS279.197-14.078
10002-06-9nonenonenoneC10H8N3ClS237.7142.0874
1000198-80-0nonenonenoneC11H14NF179.237-0.04876
100-49-2nonenonenoneC7H14O114.187-9.3679
1000068-23-4nonelownoneC14H18NO5B291.11-44.603
10003-67-5nonenonenoneC33H62O6554.849-22.973
100-99-2nonenonelowC12H27Al198.328-22.009
100-18-5nonenonenoneC12H18162.275-2.5088
100003-85-8highhighnoneC13H8N2OCl2S311.1921.0858
100-74-3highnonehighC6H13NO115.1753.7593
1000000-13-4highhighhighC21H28O12472.441-0.17986
1000339-25-2nonenonenoneC14H8N2OBrF319.133-1.9975