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

10001 13 5 | Cheminformatics

Chemical : Pexantel

Casrn : 10001-13-5

MolName : Pexantel

MolecularFormula : C12H22N2O

Smiles : CN(CC1)CCN1C(C1CCCCC1)=O

InChI : InChI=1S/C12H22N2O/c1-13-7-9-14(10-8-13)12(15)11-5-3-2-4-6-11/h11H,2-10H2,1H3

InChIK : FRSIMZWJVMLPAI-UHFFFAOYSA-N

CanonicalSyTyLFy : 5f7b5a2a7d184ffc

TotalMolweight : 210.32

Molweight : 210.32

MonoisotopicMass : 210.173213

CLogP : 1.3436

CLogS : -0.984

H Acceptors : 3

TotalSurfaceArea : 173.45

Relative PSA : 0.11611

PolarSurfaceArea : 23.55

Druglikeness : 3.9217

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : high

Nasty Functions :

Shape Index : 0.66667

Molecula Flexibility : 0.3868

Molecular Complexity : 0.55303

Fragments : 1

Non HAtoms : 15

NonCHAtoms : 3

Electronegative Atoms : 3

Rotatable Bond : 1

Rings Closures : 2

Small Rings : 2

Sp3Atoms : 12

Symmetricatoms : 4

Amides : 1

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

StereoCon :

CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
10001-46-4nonenonenoneC9H11N3O3209.2041.9565
100-06-1nonenonenoneC9H10O2150.176-1.6836
100009-92-5nonenonenoneC20H23NO4341.4064.6216
100004-79-3nonenonenoneC13H11NO2213.235-1.5864
100-47-0highnonehighC7H5N103.124-6.0498
100-58-3nonenonenoneBr.C6H5Mg101.411-2.3575
1000-86-8nonenonenoneC7H1296.1723-10.397
100-59-4nonenonenoneCl.C6H5Mg101.411-2.3575
100-13-0nonenonelowC8H7NO2149.149-10.212
1000198-80-0nonenonenoneC11H14NF179.237-0.04876
1000018-48-3nonenonenoneC12H15NO4S269.321.5148
1000018-06-3nonenonenoneC8H8N3Br226.0770.34749
1000018-39-2highhighlowC13H20N2O2S268.381.9315
1000058-38-7nonenonenoneC11H12N2O2204.228-4.6529
1000018-25-6nonenonenoneC13H24N2O6S336.408-32.405
100-77-6nonenonenoneC6H4N2Cl.Cl139.565-4.1248
100019-40-7nonenonenoneC14H15NO3245.277-1.947
100007-67-8highnonelowC5H7OClF2156.559-12.702
100-21-0highnonehighC8H6O4166.132-1.8442
100009-99-2lowhighnoneC21H25NO4355.4332.9337
100-61-8highnonenoneC7H9N107.155-0.23765
1000166-63-1nonehighnoneC20H23N8O2Br487.361-0.90793
100013-07-8nonenonenoneC18H32B.Li259.263-11.013
100009-23-2nonenonehighC17H22226.362-9.7346
100027-27-8nonenonenoneCH3I.C20H24N2292.4253.4994
100012-67-7highhighhighC12H12O5236.222-19.846
100-44-7highhighnoneC7H7Cl126.586-2.365
100028-43-1nonenonenoneBr.C21H35N2315.523-2.5218
1000339-27-4nonenonenoneC14H8N3O3Br346.14-5.8142
100-49-2nonenonenoneC7H14O114.187-9.3679
1000-36-8nonenonenoneC11H25O3P236.29-27.011
1000-56-2nonenonenoneC3H7O4S.Na139.151-6.9141
100020-94-8highnonelowC12H17OCl212.719-11.962
100007-87-2nonenonenoneC16H9N2OBr325.1640.88714
100-34-5nonenonenoneCl.C6H5N2105.12-4.365
1000339-29-6nonenonenoneC14H15N2OBr307.19-5.8756
100010-02-4nonenonenoneC14H23NO221.343-6.1109
10001-43-1nonenonenoneC15H18N6O2314.3484.1828
100-23-2nonehighnoneC8H10N2O2166.179-5.0759
10000-51-8nonenonenoneC14H15NO3245.2770.10503
1000-82-4lowhighhighC2H6N2O290.08160.41759
1000018-59-6nonenonelowC10H15O2BrS279.197-14.078
100004-95-3nonenonenoneC13H11NO3229.234-1.3547
10003-94-8nonenonenoneC9H16N2O18P4564.118-31.509
10003-67-5nonenonenoneC33H62O6554.849-22.973
1000068-23-4nonelownoneC14H18NO5B291.11-44.603
100031-98-9nonenonehighC12H29O4F3Si4406.696-100.78
1000339-23-0nonenonenoneC6H5N2O2Br217.022-3.3311
100-07-2highhighlowC8H7O2Cl170.595-10.49
100-70-9nonenonenoneC6H4N2104.112-6.0498
1000-16-4nonenonenoneC13H30NO3P279.359-34.244
1000017-93-5nonenonenoneC8H5N2O2Cl196.5932.9136
100-10-7nonehighhighC9H11NO149.192-1.8715
100-66-3highnonehighC7H8O108.14-2.0846
100-55-0nonenonenoneC6H7NO109.128-1.9045
100003-85-8highhighnoneC13H8N2OCl2S311.1921.0858
100021-85-0nonehighhighH3O4P.C16H32O2.C2H8N2256.428-25.216
10002-37-6nonenonenoneC9H16N2O168.239-3.8085
10002-30-9nonenonenoneC12H9NOS215.2750.083087
100-79-8nonelownoneC6H12O3132.158-9.8672