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394 74 1 | Cheminformatics

Chemical : (2-Benzylphenyl)(3-fluorophenyl)methanone

Casrn : 394-74-1

MolName : (2-Benzylphenyl)(3-fluorophenyl)methanone

MolecularFormula : C20H15OF

Smiles : O=C(c1cccc(F)c1)c1c(Cc2ccccc2)cccc1

InChI : InChI=1S/C20H15FO/c21-18-11-6-10-17(14-18)20(22)19-12-5-4-9-16(19)13-15-7-2-1-3-8-15/h1-12,14H,13H2

InChIK : QBPOTWVGERJTLG-UHFFFAOYSA-N

CanonicalSyTyLFy : 6f3030dd0949d56f

TotalMolweight : 290.336

Molweight : 290.336

MonoisotopicMass : 290.110693

CLogP : 4.7063

CLogS : -5.741

H Acceptors : 1

TotalSurfaceArea : 230.64

Relative PSA : 0.056538

PolarSurfaceArea : 17.07

Druglikeness : -2.5728

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.54545

Molecula Flexibility : 0.52867

Molecular Complexity : 0.76182

Fragments : 1

Non HAtoms : 22

NonCHAtoms : 2

Electronegative Atoms : 2

Rotatable Bond : 4

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 3

Aromatic Atoms : 18

Sp3Atoms : 1

Symmetricatoms : 2

StereoCon :

CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
10-31-2001nonenonenoneC21H28NO6P421.428-10.542
017257-81-7nonenonenoneC6H10O2114.1430.9106
1000018-26-7nonenonenoneC16H23NO3277.363-15.052
1000025-92-2nonenonenoneC20H16N2O2316.359-6.3825
1000198-76-4nonenonenoneC11H12NF3215.217-5.8988
100001-06-7nonenonenoneI.C20H28NO298.448-2.3411
1000-68-6nonenonenoneC3H9NO3S2171.24-3.0843
10003-94-8nonenonenoneC9H16N2O18P4564.118-31.509
100028-43-1nonenonenoneBr.C21H35N2315.523-2.5218
100008-36-4nonenonenoneC17H22O2258.36-5.6379
100-57-2highlowlowC6H6OHg294.703-2.3891
10-35-5nonenonenoneC4H6O2BrF184.992-23.473
100009-01-6nonenonenoneC15H13N3O3283.286-2.3895
100-68-5nonenonenoneC7H8S124.207-1.735
100019-64-5nonenonenoneC9H10N2O7FP308.157-34.083
100-55-0nonenonenoneC6H7NO109.128-1.9045
100-39-0highhighnoneC7H7Br171.037-7.8241
100004-54-4nonehighnoneC4H8Te183.708-3.9699
100-04-9nonehighnoneCl.C8H10N3148.188-2.0275
1000-70-0nonelowhighC7H18N2Si2186.406-43.673
1000166-63-1nonehighnoneC20H23N8O2Br487.361-0.90793
100-79-8nonelownoneC6H12O3132.158-9.8672
1000284-35-4nonenonehighC16H24O4280.363-11.936
10003-95-9nonenonenoneC10H18N2O17P4562.146-25.989
1000-36-8nonenonenoneC11H25O3P236.29-27.011
10-00-4nonenonenoneC28H34O8498.57-4.8409
1000339-13-8lownonelowC7H10NO4ClS239.678-21.883
100023-32-3highhighnoneCH3O4S.C20H19N2O303.3840.7545
100021-79-2nonehighhighC16H32O2.C2H8N2256.428-25.216
1000-90-4nonenonenoneZn.C4H7OS2.C4H7OS2135.231-2.7683
1000269-51-1nonenonenoneC13H12NO4B257.052-12.285
1000018-10-9nonenonenoneC7H8N2OBr2295.962-5.2121
1000-56-2nonenonenoneC3H7O4S.Na139.151-6.9141
10002-97-8nonenonenoneC18H30O2278.4340.24997
100-10-7nonehighhighC9H11NO149.192-1.8715
100-64-1highhighnoneC6H11NO113.159-6.4182
1000-91-5nonenonehighC5H14OSi118.251-35.679
1000339-28-5nonenonenoneC14H8N2OBrCl335.588-0.59356
100-71-0nonenonenoneC7H9N107.155-2.2725
100-89-0nonenonelowC18H36O6B2370.1-16.157
1000339-55-8nonenonenoneC9H7O2F3204.147-12.197
1000018-51-8nonenonenoneC10H10N2O2S2254.3331.3137
100020-34-6nonenonenoneC13H18S2238.418-0.23079
1000-87-9nonenonenoneC7H1296.1723-2.6557
10002-37-6nonenonenoneC9H16N2O168.239-3.8085
100009-23-2nonenonehighC17H22226.362-9.7346
1000068-42-7nonenonenoneC10H11NO3BrFS324.169-2.2263
100-29-8nonenonenoneC8H9NO3167.163-8.928
1000068-25-6nonenonenoneC13H15NO4BF279.074-46.077
1000-67-5nonenonehighC4H9O4S.Na153.177-10.412
100-54-9nonenonenoneC6H4N2104.112-6.0498
1000018-06-3nonenonenoneC8H8N3Br226.0770.34749
1000010-11-6nonenonenoneC28H44N2O2440.669-21.689
100004-92-0nonenonenoneC16H11NO2249.268-1.5746
100010-99-9nonenonenoneC11H24O2188.31-23.185
100027-27-8nonenonenoneCH3I.C20H24N2292.4253.4994
10002-06-9nonenonenoneC10H8N3ClS237.7142.0874
1000339-51-4nonenonenoneC7H4NO4F185.11-8.2861
1000-86-8nonenonenoneC7H1296.1723-10.397
1000339-31-0nonenonehighC12H16NCl209.7190.65299