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

898778 73 9 | Cheminformatics

Chemical : (2,3-Difluorophenyl)[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone

Casrn : 898778-73-9

MolName : (2,3-Difluorophenyl)[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone

MolecularFormula : C14H10O3F2S

Smiles : O=C(c1ccc(C2OCCO2)s1)c(cccc1F)c1F

InChI : InChI=1S/C14H10F2O3S/c15-9-3-1-2-8(12(9)16)13(17)10-4-5-11(20-10)14-18-6-7-19-14/h1-5,14H,6-7H2

InChIK : STJYDFNWJKQGGI-UHFFFAOYSA-N

CanonicalSyTyLFy : 5114ac29394c9a72

TotalMolweight : 296.292

Molweight : 296.292

MonoisotopicMass : 296.031871

CLogP : 2.2957

CLogS : -4.431

H Acceptors : 3

TotalSurfaceArea : 205.93

Relative PSA : 0.25931

PolarSurfaceArea : 63.77

Druglikeness : -5.7847

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.55

Molecula Flexibility : 0.35545

Molecular Complexity : 0.76723

Fragments : 1

Non HAtoms : 20

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 3

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 5

Symmetricatoms : 2

StereoCon :

CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
1000339-45-6nonenonehighC8H14O2F2180.193-28.199
1000018-40-5lowhighnoneC11H16N2O2S240.3261.4856
1000-70-0nonelowhighC7H18N2Si2186.406-43.673
10001-08-8nonenonehighC11H22N2O198.309-3.1037
100-13-0nonenonelowC8H7NO2149.149-10.212
1000018-51-8nonenonenoneC10H10N2O2S2254.3331.3137
100-58-3nonenonenoneBr.C6H5Mg101.411-2.3575
1000-83-5lowhighhighC2H6N2OS106.149-2.264
100-70-9nonenonenoneC6H4N2104.112-6.0498
1000018-49-4nonenonenoneC14H19NO5S313.3732.5797
100-99-2nonenonelowC12H27Al198.328-22.009
100-87-8nonenonenoneC7H8O3S172.204-10.732
10002-97-8nonenonenoneC18H30O2278.4340.24997
10-00-4nonenonenoneC28H34O8498.57-4.8409
1000018-06-3nonenonenoneC8H8N3Br226.0770.34749
1000339-23-0nonenonenoneC6H5N2O2Br217.022-3.3311
100-23-2nonehighnoneC8H10N2O2166.179-5.0759
100-14-1highhighlowC7H6NO2Cl171.583-7.5061
100-09-4nonenonenoneC8H8O3152.149-1.597
100010-00-2nonenonenoneC20H23NO5357.405-3.7157
100007-40-7nonenonenoneC31H42N4O7582.695-0.42167
100-92-5nonenonenoneC11H17N163.2631.1672
1000-44-8highhighlowC7H7Cl126.586-8.5908
100-25-4nonenonenoneC6H4N2O4168.108-7.74
1000025-93-3nonenonenoneC20H17NO4335.358-1.6731
100011-00-5nonenonenoneC15H24O2236.354-18.044
100010-02-4nonenonenoneC14H23NO221.343-6.1109
100021-81-6nonenonenoneH3O4P.C20H42N2O326.566-22.282
1000068-23-4nonelownoneC14H18NO5B291.11-44.603
10001-30-6nonenonenoneC17H14O4282.294-0.8408
100017-22-9highhighhighC5H8O2100.117-8.1063
1000018-10-9nonenonenoneC7H8N2OBr2295.962-5.2121
1000018-56-3nonenonenoneC7H4N3O2Br242.032-0.39052
1000160-96-2nonenonenoneC24H28N2O3.C2H4O2392.4971.9926
1000-22-2lowhighlowC6H14O2FPS200.213-11.052
017257-81-7nonenonenoneC6H10O2114.1430.9106
1000017-94-6nonenonenoneC8H5N2O2Cl196.5932.9136
1000269-71-5nonenonehighC12H18N2O2222.287-10.925
100031-76-3nonenonenoneC30H44NO8P577.652-46.719
1000018-22-3nonenonenoneC16H22N3O4Br400.272-33.051
1000339-32-1nonenonenoneC11H14NF179.2370.6275
100027-90-5highhighnoneC20H26N2Cl2.HCl.HCl365.3464.1664
10003-73-3nonenonenoneHCl.C7H10N2122.17-2.0712
1000018-39-2highhighlowC13H20N2O2S268.381.9315
100033-12-3nonenonenoneC11H10N3O2Br296.123-13.354
1000339-29-6nonenonenoneC14H15N2OBr307.19-5.8756
100-15-2nonehighnoneC7H8N2O2152.153-5.7806
1000269-67-9nonenonenoneC13H22N4234.3460.99367
1000025-92-2nonenonenoneC20H16N2O2316.359-6.3825
10003-42-6nonenonenoneC11H11NO4221.211-4.7046
1000068-42-7nonenonenoneC10H11NO3BrFS324.169-2.2263
100010-99-9nonenonenoneC11H24O2188.31-23.185
100-89-0nonenonelowC18H36O6B2370.1-16.157
1000018-25-6nonenonenoneC13H24N2O6S336.408-32.405
1000-90-4nonenonenoneZn.C4H7OS2.C4H7OS2135.231-2.7683
100020-83-5nonenonelowC7H11O3B153.972-20.814
1000166-63-1nonehighnoneC20H23N8O2Br487.361-0.90793
1000010-11-6nonenonenoneC28H44N2O2440.669-21.689
1000018-13-2nonenonenoneC11H14NO2Br272.141-5.4951
100007-54-3nonenonenoneC28H30O13574.533-1.9839