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

449758 16 1 | Cheminformatics

Chemical : (2-(1H-IMIDAZOL-2-YL)PHENYL)METHANAMINE

Casrn : 449758-16-1

MolName : (2-(1H-IMIDAZOL-2-YL)PHENYL)METHANAMINE

MolecularFormula : C10H11N3

Smiles : NCc(cccc1)c1-c1ncc[nH]1

InChI : InChI=1S/C10H11N3/c11-7-8-3-1-2-4-9(8)10-12-5-6-13-10/h1-6H,7,11H2,(H,12,13)

InChIK : IRPDMVRGNZBTMZ-UHFFFAOYSA-N

CanonicalSyTyLFy : 5e36bc820195380d

TotalMolweight : 173.218

Molweight : 173.218

MonoisotopicMass : 173.095297

CLogP : 0.4677

CLogS : -2.536

H Acceptors : 3

H Donors : 2

TotalSurfaceArea : 143.63

Relative PSA : 0.28009

PolarSurfaceArea : 54.7

Druglikeness : -0.27776

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.53846

Molecula Flexibility : 0.41852

Molecular Complexity : 0.655

Fragments : 1

Non HAtoms : 13

NonCHAtoms : 3

Electronegative Atoms : 3

Rotatable Bond : 2

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 2

Amines : 1

AlkylAmines : 1

Aromatic Nitrogens : 2

BasicNitrogens : 2

StereoCon :

CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
100007-87-2nonenonenoneC16H9N2OBr325.1640.88714
100007-54-3nonenonenoneC28H30O13574.533-1.9839
100-05-0nonenonenoneCl.C6H4N3O2150.117-9.1371
1000018-71-2nonenonehighC14H19N3O4293.322-2.5213
100-62-9lownonenoneC7H7N105.14-1.1924
100-12-9nonenonenoneC8H9NO2151.164-7.7443
1000-56-2nonenonenoneC3H7O4S.Na139.151-6.9141
100-69-6nonenonenoneC7H7N105.14-4.4598
1000269-67-9nonenonenoneC13H22N4234.3460.99367
100-34-5nonenonenoneCl.C6H5N2105.12-4.365
100021-79-2nonehighhighC16H32O2.C2H8N2256.428-25.216
1000068-65-4nonenonenoneC13H15NO4BF279.074-46.077
100-44-7highhighnoneC7H7Cl126.586-2.365
10003-69-7nonenonenoneC10H14O8S4390.4770.2775
1000-90-4nonenonenoneZn.C4H7OS2.C4H7OS2135.231-2.7683
100-93-6highhighhighC19H18N2O2S338.43-12.848
1000-40-4highnonelowC10H24S2Sn327.143-7.0269
100-85-6nonenonenoneHO.C10H16N150.244-2.6575
1000-86-8nonenonenoneC7H1296.1723-10.397
1000018-52-9nonenonenoneC11H12N2O2S2268.361.3179
1000-30-2nonenonehighC9H16O140.225-7.4662
1000018-58-5nonenonenoneC6H4NBr2Cl285.366-3.6
100001-06-7nonenonenoneI.C20H28NO298.448-2.3411
1000304-40-4nonenonenoneC11H17NO179.2622.2651
100010-00-2nonenonenoneC20H23NO5357.405-3.7157
100-76-5nonenonehighC7H13N111.1873.5517
100-96-9highnonenoneC7H10N2O138.169-1.7412
100-97-0highhighhighC6H12N4140.1891.5849
1000120-98-8highnonehighC230H305N67O122P19S197158.06-20.81
100-27-6lownonenoneC8H9NO3167.163-9.2735
10000-42-7highhighlowC20H18N4O3362.388-5.7793
100-64-1highhighnoneC6H11NO113.159-6.4182
100-56-1highlowlowC6H5ClHg313.149-2.3575
100-70-9nonenonenoneC6H4N2104.112-6.0498
100004-95-3nonenonenoneC13H11NO3229.234-1.3547
100004-79-3nonenonenoneC13H11NO2213.235-1.5864
100021-82-7nonenonenoneH3O4P.C18H38N2O298.513-22.282
1000339-23-0nonenonenoneC6H5N2O2Br217.022-3.3311
100-59-4nonenonenoneCl.C6H5Mg101.411-2.3575
1000017-94-6nonenonenoneC8H5N2O2Cl196.5932.9136
100-13-0nonenonelowC8H7NO2149.149-10.212
100021-85-0nonehighhighH3O4P.C16H32O2.C2H8N2256.428-25.216
1000171-05-0nonenonenoneC27H37O3P440.562-24.592
1000-70-0nonelowhighC7H18N2Si2186.406-43.673
100013-07-8nonenonenoneC18H32B.Li259.263-11.013
100009-88-9nonenonenoneC18H45N7359.604-4.1108
1000339-26-3nonenonenoneC14H7N2OBrCl2370.033-0.59356
1000284-35-4nonenonehighC16H24O4280.363-11.936
100-99-2nonenonelowC12H27Al198.328-22.009
1000068-42-7nonenonenoneC10H11NO3BrFS324.169-2.2263
1000284-53-6nonenonehighC18H36O2284.482-15.583
10000-20-1nonelowhighC12H32N2Si2260.572-64.51
100009-01-6nonenonenoneC15H13N3O3283.286-2.3895
100008-90-0nonenonenoneC12H11N3O3245.237-1.9187
1000-46-0nonenonenoneC7H18Ge174.83-4.6976
10-35-5nonenonenoneC4H6O2BrF184.992-23.473
10002-30-9nonenonenoneC12H9NOS215.2750.083087
1000279-69-5nonenonenoneC20H19N2O3ClS402.9015.7907
1000-84-6nonenonehighC4H9NO87.1215-6.3779
100007-55-4nonenonenoneC35H39O19763.676-1.2907