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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
100005-79-6nonenonenoneC12H9NS199.276-2.6106
1000269-66-8nonenonenoneC12H20N4220.3190.5423
1000025-59-1nonenonenoneC14H11O3Cl262.691-1.449
100-93-6highhighhighC19H18N2O2S338.43-12.848
100004-81-7nonenonenoneC13H11NO3229.234-1.3547
100016-58-8nonehighnoneC19H19NO5341.3621.8385
100-25-4nonenonenoneC6H4N2O4168.108-7.74
1000010-11-6nonenonenoneC28H44N2O2440.669-21.689
100003-81-4highhighnoneC8H7N2OClS214.6761.4208
100-67-4nonenonenoneK.C6H5O93.1047-2.2548
1000018-56-3nonenonenoneC7H4N3O2Br242.032-0.39052
100005-12-7nonenonelowC11H10NCl191.662.2675
10-35-5nonenonenoneC4H6O2BrF184.992-23.473
1000339-28-5nonenonenoneC14H8N2OBrCl335.588-0.59356
100-17-4nonenonenoneC7H7NO3153.137-7.2945
100-52-7highhighhighC7H6O106.124-4.225
1000166-63-1nonehighnoneC20H23N8O2Br487.361-0.90793
1000160-75-7nonenonelowC14H17O2BS260.164-20.35
100004-94-2nonenonenoneC13H11NO2213.235-1.5864
1000-46-0nonenonenoneC7H18Ge174.83-4.6976
100-69-6nonenonenoneC7H7N105.14-4.4598
100-95-8nonenonenoneCl.C23H41N2O361.592-17.647
100-40-3nonenonehighC8H12108.183-9.1684
1000018-26-7nonenonenoneC16H23NO3277.363-15.052
1000339-54-7nonenonenoneC9H7O2F3204.147-11.176
1000-90-4nonenonenoneZn.C4H7OS2.C4H7OS2135.231-2.7683
1000339-27-4nonenonenoneC14H8N3O3Br346.14-5.8142
100-62-9lownonenoneC7H7N105.14-1.1924
1000269-71-5nonenonehighC12H18N2O2222.287-10.925
100-59-4nonenonenoneCl.C6H5Mg101.411-2.3575
10000-20-1nonelowhighC12H32N2Si2260.572-64.51
1000296-71-8nonenonehighC19H27NO8S3493.62-2.9952
100008-90-0nonenonenoneC12H11N3O3245.237-1.9187
1000018-22-3nonenonenoneC16H22N3O4Br400.272-33.051
100-97-0highhighhighC6H12N4140.1891.5849
100005-68-3nonenonenoneC13H12O4232.234-4.9451
10001-43-1nonenonenoneC15H18N6O2314.3484.1828
1000-69-7highnonelowC7H18SSn252.996-9.6969
10002-97-8nonenonenoneC18H30O2278.4340.24997
1000339-26-3nonenonenoneC14H7N2OBrCl2370.033-0.59356
1000068-25-6nonenonenoneC13H15NO4BF279.074-46.077
100-89-0nonenonelowC18H36O6B2370.1-16.157
1000000-13-4highhighhighC21H28O12472.441-0.17986
100013-07-8nonenonenoneC18H32B.Li259.263-11.013
1000017-93-5nonenonenoneC8H5N2O2Cl196.5932.9136
1000-70-0nonelowhighC7H18N2Si2186.406-43.673
100-39-0highhighnoneC7H7Br171.037-7.8241
100-44-7highhighnoneC7H7Cl126.586-2.365
10-31-2001nonenonenoneC21H28NO6P421.428-10.542
100-75-4highhighhighC5H10N2O114.147-0.86877
100020-95-9highnonelowC12H17OCl212.719-11.962
100019-40-7nonenonenoneC14H15NO3245.277-1.947
100011-01-6nonenonenoneC9H18O2158.24-2.3462
100-45-8nonenonehighC7H9N107.155-10.018
1000-87-9nonenonenoneC7H1296.1723-2.6557
1000339-25-2nonenonenoneC14H8N2OBrF319.133-1.9975
100-21-0highnonehighC8H6O4166.132-1.8442
100012-49-5nonenonenoneC10H2O4Br4505.738-8.4981
100-29-8nonenonenoneC8H9NO3167.163-8.928
1000018-25-6nonenonenoneC13H24N2O6S336.408-32.405