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 |
---|---|---|---|---|---|---|
1000025-93-3 | none | none | none | C20H17NO4 | 335.358 | -1.6731 |
1000017-97-9 | none | none | none | C10H11N3O2 | 205.216 | -1.3937 |
10002-97-8 | none | none | none | C18H30O2 | 278.434 | 0.24997 |
1000171-05-0 | none | none | none | C27H37O3P | 440.562 | -24.592 |
1000-90-4 | none | none | none | Zn.C4H7OS2.C4H7OS2 | 135.231 | -2.7683 |
100010-02-4 | none | none | none | C14H23NO | 221.343 | -6.1109 |
100-94-7 | none | none | none | Cl.C16H20N | 226.342 | -1.9788 |
100-39-0 | high | high | none | C7H7Br | 171.037 | -7.8241 |
100009-01-6 | none | none | none | C15H13N3O3 | 283.286 | -2.3895 |
1000018-13-2 | none | none | none | C11H14NO2Br | 272.141 | -5.4951 |
100-73-2 | high | none | none | C6H8O2 | 112.128 | -6.3422 |
100021-47-4 | none | none | none | C13H17N5O6 | 339.307 | -2.7249 |
100-79-8 | none | low | none | C6H12O3 | 132.158 | -9.8672 |
1000017-93-5 | none | none | none | C8H5N2O2Cl | 196.593 | 2.9136 |
1000018-48-3 | none | none | none | C12H15NO4S | 269.32 | 1.5148 |
100005-12-7 | none | none | low | C11H10NCl | 191.66 | 2.2675 |
100-04-9 | none | high | none | Cl.C8H10N3 | 148.188 | -2.0275 |
100020-83-5 | none | none | low | C7H11O3B | 153.972 | -20.814 |
1000025-92-2 | none | none | none | C20H16N2O2 | 316.359 | -6.3825 |
100031-88-7 | none | none | high | C10H30O3Si4 | 310.689 | -53.619 |
100031-76-3 | none | none | none | C30H44NO8P | 577.652 | -46.719 |
1000-23-3 | high | high | low | C4H6O4Cl2Sn | 307.704 | -8.6766 |
1000269-71-5 | none | none | high | C12H18N2O2 | 222.287 | -10.925 |
100008-90-0 | none | none | none | C12H11N3O3 | 245.237 | -1.9187 |
10-00-4 | none | none | none | C28H34O8 | 498.57 | -4.8409 |
100004-94-2 | none | none | none | C13H11NO2 | 213.235 | -1.5864 |
100005-79-6 | none | none | none | C12H9NS | 199.276 | -2.6106 |
100004-92-0 | none | none | none | C16H11NO2 | 249.268 | -1.5746 |
1000339-32-1 | none | none | none | C11H14NF | 179.237 | 0.6275 |
100-53-8 | none | high | high | C7H8S | 124.207 | -6.3177 |
100031-92-3 | none | none | high | C10H30OSi4 | 278.691 | -53.619 |
100-69-6 | none | none | none | C7H7N | 105.14 | -4.4598 |
100008-36-4 | none | none | none | C17H22O2 | 258.36 | -5.6379 |
100-34-5 | none | none | none | Cl.C6H5N2 | 105.12 | -4.365 |
1000-30-2 | none | none | high | C9H16O | 140.225 | -7.4662 |
10003-95-9 | none | none | none | C10H18N2O17P4 | 562.146 | -25.989 |
1000018-25-6 | none | none | none | C13H24N2O6S | 336.408 | -32.405 |
1000018-26-7 | none | none | none | C16H23NO3 | 277.363 | -15.052 |
100-64-1 | high | high | none | C6H11NO | 113.159 | -6.4182 |
1000018-50-7 | none | none | none | C13H16N2O4 | 264.28 | -7.3568 |
100-46-9 | none | none | none | C7H9N | 107.155 | -2.0712 |
1000-56-2 | none | none | none | C3H7O4S.Na | 139.151 | -6.9141 |
1000-69-7 | high | none | low | C7H18SSn | 252.996 | -9.6969 |
100028-43-1 | none | none | none | Br.C21H35N2 | 315.523 | -2.5218 |
1000017-98-0 | none | none | none | C8H4N2O2BrCl | 275.489 | -2.5326 |
1000-86-8 | none | none | none | C7H12 | 96.1723 | -10.397 |
1000-70-0 | none | low | high | C7H18N2Si2 | 186.406 | -43.673 |
1000289-40-6 | none | none | none | C7H4N2Br2S | 307.997 | -2.2608 |
1000018-59-6 | none | none | low | C10H15O2BrS | 279.197 | -14.078 |
10002-06-9 | none | none | none | C10H8N3ClS | 237.714 | 2.0874 |
1000198-80-0 | none | none | none | C11H14NF | 179.237 | -0.04876 |
100-49-2 | none | none | none | C7H14O | 114.187 | -9.3679 |
1000068-23-4 | none | low | none | C14H18NO5B | 291.11 | -44.603 |
10003-67-5 | none | none | none | C33H62O6 | 554.849 | -22.973 |
100-99-2 | none | none | low | C12H27Al | 198.328 | -22.009 |
100-18-5 | none | none | none | C12H18 | 162.275 | -2.5088 |
100003-85-8 | high | high | none | C13H8N2OCl2S | 311.192 | 1.0858 |
100-74-3 | high | none | high | C6H13NO | 115.175 | 3.7593 |
1000000-13-4 | high | high | high | C21H28O12 | 472.441 | -0.17986 |
1000339-25-2 | none | none | none | C14H8N2OBrF | 319.133 | -1.9975 |