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906477 25 6 | Cheminformatics

Chemical : (2-(2-Fluorophenyl)-1H-imidazol-5-yl)methanol

Casrn : 906477-25-6

MolName : (2-(2-Fluorophenyl)-1H-imidazol-5-yl)methanol

MolecularFormula : C10H9N2OF

Smiles : OCc1cnc(-c(cccc2)c2F)[nH]1

InChI : InChI=1S/C10H9FN2O/c11-9-4-2-1-3-8(9)10-12-5-7(6-14)13-10/h1-5,14H,6H2,(H,12,13)

InChIK : MIJZSYGWJLLISN-UHFFFAOYSA-N

CanonicalSyTyLFy : 8712d274be9b41f8

TotalMolweight : 192.192

Molweight : 192.192

MonoisotopicMass : 192.069891

CLogP : 1.0203

CLogS : -2.798

H Acceptors : 3

H Donors : 2

TotalSurfaceArea : 147.81

Relative PSA : 0.25749

PolarSurfaceArea : 48.91

Druglikeness : -0.63349

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.64286

Molecula Flexibility : 0.44353

Molecular Complexity : 0.70898

Fragments : 1

Non HAtoms : 14

NonCHAtoms : 4

Electronegative Atoms : 4

Rotatable Bond : 2

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 2

Aromatic Nitrogens : 2

BasicNitrogens : 1

StereoCon :

CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
1000017-97-9nonenonenoneC10H11N3O2205.216-1.3937
100004-80-6nonenonenoneC13H11NO3229.234-1.3547
1000-78-8highlownoneC11H24N2184.326-10.254
100-77-6nonenonenoneC6H4N2Cl.Cl139.565-4.1248
100-23-2nonehighnoneC8H10N2O2166.179-5.0759
100-92-5nonenonenoneC11H17N163.2631.1672
100-13-0nonenonelowC8H7NO2149.149-10.212
1000339-23-0nonenonenoneC6H5N2O2Br217.022-3.3311
100031-98-9nonenonehighC12H29O4F3Si4406.696-100.78
1000018-24-5nonenonenoneC12H18N4O3266.3-0.33651
1000068-26-7nonenonenoneC13H15NO4BF279.074-46.077
100020-34-6nonenonenoneC13H18S2238.418-0.23079
100002-29-7nonenonenoneC12H18N2O3238.2862.8956
1000-77-7highhighnoneHCl.C6H15NO6S2261.3181.5333
100-46-9nonenonenoneC7H9N107.155-2.0712
1000068-42-7nonenonenoneC10H11NO3BrFS324.169-2.2263
1000018-06-3nonenonenoneC8H8N3Br226.0770.34749
100021-84-9highhighhighH3O4P.C18H36O2.C2H8N2284.482-25.216
100031-92-3nonenonehighC10H30OSi4278.691-53.619
100001-06-7nonenonenoneI.C20H28NO298.448-2.3411
100-71-0nonenonenoneC7H9N107.155-2.2725
100-79-8nonelownoneC6H12O3132.158-9.8672
100-39-0highhighnoneC7H7Br171.037-7.8241
100007-67-8highnonelowC5H7OClF2156.559-12.702
1000-70-0nonelowhighC7H18N2Si2186.406-43.673
100021-05-4nonenonenoneC21H28O2312.4510.95307
100019-40-7nonenonenoneC14H15NO3245.277-1.947
1000018-71-2nonenonehighC14H19N3O4293.322-2.5213
100-94-7nonenonenoneCl.C16H20N226.342-1.9788
100021-81-6nonenonenoneH3O4P.C20H42N2O326.566-22.282
100-05-0nonenonenoneCl.C6H4N3O2150.117-9.1371
1000339-22-9nonenonenoneC8H5NO4F2217.127-8.0943
1000339-31-0nonenonehighC12H16NCl209.7190.65299
100-73-2highnonenoneC6H8O2112.128-6.3422
100-75-4highhighhighC5H10N2O114.147-0.86877
100-19-6nonenonenoneC8H7NO3165.148-7.0365
100010-02-4nonenonenoneC14H23NO221.343-6.1109
1000339-33-2nonenonenoneC10H11NClF199.6550.76
1000068-23-4nonelownoneC14H18NO5B291.11-44.603
100-16-3lowhighnoneC6H7N3O2153.141-9.8627
100-29-8nonenonenoneC8H9NO3167.163-8.928
1000304-40-4nonenonenoneC11H17NO179.2622.2651
1000017-94-6nonenonenoneC8H5N2O2Cl196.5932.9136
10002-97-8nonenonenoneC18H30O2278.4340.24997
100009-01-6nonenonenoneC15H13N3O3283.286-2.3895
1000120-98-8highnonehighC230H305N67O122P19S197158.06-20.81
1000303-67-2nonenonenoneC6H8N2O124.1432.717
100-95-8nonenonenoneCl.C23H41N2O361.592-17.647
100004-79-3nonenonenoneC13H11NO2213.235-1.5864
1000068-65-4nonenonenoneC13H15NO4BF279.074-46.077
100009-88-9nonenonenoneC18H45N7359.604-4.1108
10003-67-5nonenonenoneC33H62O6554.849-22.973
100-00-5nonenonenoneC6H4NO2Cl157.556-7.4592
100012-67-7highhighhighC12H12O5236.222-19.846
10001-82-8nonenonenoneC24H26N4O5S482.5599.4242
017257-81-7nonenonenoneC6H10O2114.1430.9106
100-51-6highhighhighC7H8O108.14-2.2456
100007-62-3nonenonehighC8H13NO139.197-8.1398
1000269-51-1nonenonenoneC13H12NO4B257.052-12.285
1000339-27-4nonenonenoneC14H8N3O3Br346.14-5.8142