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56184 40 8 | Cheminformatics

Chemical : (1Z)-1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Nonadecafluoro-1-iododec-1-ene

Casrn : 56184-40-8

MolName : (1Z)-1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Nonadecafluoro-1-iododec-1-ene

MolecularFormula : C10F19I

Smiles : FC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(/C(/F)=C(\F)/I)(F)F)(F)F)(F)F)F

InChI : InChI=1S/C10F19I/c11-1(2(12)30)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)29

InChIK : CNVIZYKCNXLGGZ-UHFFFAOYSA-N

CanonicalSyTyLFy : fa3f6163d2e51507

TotalMolweight : 607.972

Molweight : 607.972

MonoisotopicMass : 607.87413

CLogP : 8.3782

CLogS : -8.312

TotalSurfaceArea : 266.63

Druglikeness : -103.5

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.4

Molecula Flexibility : 0.51836

Molecular Complexity : 0.90752

Fragments : 1

Non HAtoms : 30

NonCHAtoms : 20

Electronegative Atoms : 20

Rotatable Bond : 8

Sp3Atoms : 8

Symmetricatoms : 9

StereoCon :

CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
1000018-06-3nonenonenoneC8H8N3Br226.0770.34749
1000-82-4lowhighhighC2H6N2O290.08160.41759
100-71-0nonenonenoneC7H9N107.155-2.2725
1000068-24-5nonenonelowC13H15NO4BCl295.529-44.638
1000-44-8highhighlowC7H7Cl126.586-8.5908
1000339-22-9nonenonenoneC8H5NO4F2217.127-8.0943
100-45-8nonenonehighC7H9N107.155-10.018
1000198-76-4nonenonenoneC11H12NF3215.217-5.8988
1000025-93-3nonenonenoneC20H17NO4335.358-1.6731
100004-80-6nonenonenoneC13H11NO3229.234-1.3547
100007-62-3nonenonehighC8H13NO139.197-8.1398
100031-76-3nonenonenoneC30H44NO8P577.652-46.719
100-27-6lownonenoneC8H9NO3167.163-9.2735
1000-86-8nonenonenoneC7H1296.1723-10.397
1000017-93-5nonenonenoneC8H5N2O2Cl196.5932.9136
1000018-25-6nonenonenoneC13H24N2O6S336.408-32.405
100-14-1highhighlowC7H6NO2Cl171.583-7.5061
100020-94-8highnonelowC12H17OCl212.719-11.962
1000339-34-3nonenonenoneC11H12N3OBr282.14-5.9074
100004-92-0nonenonenoneC16H11NO2249.268-1.5746
100-06-1nonenonenoneC9H10O2150.176-1.6836
100-91-4nonenonehighC17H25NO3291.393.3475
1000279-69-5nonenonenoneC20H19N2O3ClS402.9015.7907
1000-46-0nonenonenoneC7H18Ge174.83-4.6976
1000-05-1nonenonehighC8H26O3Si4282.635-83.299
100-89-0nonenonelowC18H36O6B2370.1-16.157
100-83-4highnonelowC7H6O2122.123-4.1407
100008-90-0nonenonenoneC12H11N3O3245.237-1.9187
100005-79-6nonenonenoneC12H9NS199.276-2.6106
100-95-8nonenonenoneCl.C23H41N2O361.592-17.647
100-11-8lowhighnoneC7H6NO2Br216.034-13.162
100031-98-9nonenonehighC12H29O4F3Si4406.696-100.78
1000018-07-4nonenonenoneC14H13N3O239.2771.9531
100-65-2highnonenoneC6H7NO109.128-1.548
1000017-94-6nonenonenoneC8H5N2O2Cl196.5932.9136
100-12-9nonenonenoneC8H9NO2151.164-7.7443
10-35-5nonenonenoneC4H6O2BrF184.992-23.473
100009-99-2lowhighnoneC21H25NO4355.4332.9337
100-61-8highnonenoneC7H9N107.155-0.23765
100-10-7nonehighhighC9H11NO149.192-1.8715
10001-30-6nonenonenoneC17H14O4282.294-0.8408
10001-82-8nonenonenoneC24H26N4O5S482.5599.4242
1000-58-4highhighhighC4H8Cl4Si226.006-54.611
1000018-26-7nonenonenoneC16H23NO3277.363-15.052
100-07-2highhighlowC8H7O2Cl170.595-10.49
100-01-6nonenonenoneC6H6N2O2138.126-7.2389
1000339-45-6nonenonehighC8H14O2F2180.193-28.199
100008-36-4nonenonenoneC17H22O2258.36-5.6379
100-16-3lowhighnoneC6H7N3O2153.141-9.8627
1000339-27-4nonenonenoneC14H8N3O3Br346.14-5.8142
1000339-51-4nonenonenoneC7H4NO4F185.11-8.2861
100-34-5nonenonenoneCl.C6H5N2105.12-4.365
100020-34-6nonenonenoneC13H18S2238.418-0.23079
1000018-13-2nonenonenoneC11H14NO2Br272.141-5.4951
100-19-6nonenonenoneC8H7NO3165.148-7.0365
10003-67-5nonenonenoneC33H62O6554.849-22.973
100-94-7nonenonenoneCl.C16H20N226.342-1.9788
100007-40-7nonenonenoneC31H42N4O7582.695-0.42167
100-67-4nonenonenoneK.C6H5O93.1047-2.2548
1000018-40-5lowhighnoneC11H16N2O2S240.3261.4856