Pexantel

Formula:C12H22N2O CAS:10001-13-5 ChemrytIQ

PropertyValue
Casrn10001-13-5
MolNamePexantel
MolecularFormulaC12H22N2O
SmilesCN(CC1)CCN1C(C1CCCCC1)=O
InChIInChI=1S/C12H22N2O/c1-13-7-9-14(10-8-13)12(15)11-5-3-2-4-6-11/h11H,2-10H2,1H3
InChIKFRSIMZWJVMLPAI-UHFFFAOYSA-N
CanonicalSyTyLFy5f7b5a2a7d184ffc
TotalMolweight210.32
Molweight210.32
MonoisotopicMass210.173213
CLogP1.3436
CLogS-0.984
H Acceptors3
TotalSurfaceArea173.45
Relative PSA0.11611
PolarSurfaceArea23.55
Druglikeness3.9217
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Nasty Functions
Shape Index0.66667
Molecula Flexibility0.3868
Molecular Complexity0.55303
Fragments1
Non HAtoms15
NonCHAtoms3
Electronegative Atoms3
Rotatable Bond1
Rings Closures2
Small Rings2
Sp3Atoms12
Symmetricatoms4
Amides1
Amines1
AlkylAmines1
BasicNitrogens1
StereoCon
CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness ChemrytIQ
100-65-2highnonenoneC6H7NO109.128-1.548 ChemrytIQ
100-05-0nonenonenoneCl.C6H4N3O2150.117-9.1371 ChemrytIQ
100-70-9nonenonenoneC6H4N2104.112-6.0498 ChemrytIQ
100010-02-4nonenonenoneC14H23NO221.343-6.1109 ChemrytIQ
100-18-5nonenonenoneC12H18162.275-2.5088 ChemrytIQ
1000-78-8highlownoneC11H24N2184.326-10.254 ChemrytIQ
1000-86-8nonenonenoneC7H1296.1723-10.397 ChemrytIQ
100019-64-5nonenonenoneC9H10N2O7FP308.157-34.083 ChemrytIQ
1000269-65-7nonenonenoneC12H19N3205.3040.25629 ChemrytIQ
1000339-52-5nonenonenoneC7H3N2O2F166.111-12.761 ChemrytIQ
100031-98-9nonenonehighC12H29O4F3Si4406.696-100.78 ChemrytIQ
100-76-5nonenonehighC7H13N111.1873.5517 ChemrytIQ
100009-01-6nonenonenoneC15H13N3O3283.286-2.3895 ChemrytIQ
10001-46-4nonenonenoneC9H11N3O3209.2041.9565 ChemrytIQ
100021-85-0nonehighhighH3O4P.C16H32O2.C2H8N2256.428-25.216 ChemrytIQ
100-93-6highhighhighC19H18N2O2S338.43-12.848 ChemrytIQ
100-04-9nonehighnoneCl.C8H10N3148.188-2.0275 ChemrytIQ
1000018-52-9nonenonenoneC11H12N2O2S2268.361.3179 ChemrytIQ
1000339-32-1nonenonenoneC11H14NF179.2370.6275 ChemrytIQ
1000296-70-7nonenonenoneC19H27NO7S3477.6213.1322 ChemrytIQ
1000018-58-5nonenonenoneC6H4NBr2Cl285.366-3.6 ChemrytIQ
1000339-54-7nonenonenoneC9H7O2F3204.147-11.176 ChemrytIQ
100-41-4highhighhighC8H10106.167-2.68 ChemrytIQ
1000068-24-5nonenonelowC13H15NO4BCl295.529-44.638 ChemrytIQ
1000018-26-7nonenonenoneC16H23NO3277.363-15.052 ChemrytIQ
100019-40-7nonenonenoneC14H15NO3245.277-1.947 ChemrytIQ
1000010-11-6nonenonenoneC28H44N2O2440.669-21.689 ChemrytIQ
100020-83-5nonenonelowC7H11O3B153.972-20.814 ChemrytIQ
1000-00-6nonenonehighC10H26OSi2218.487-62.76 ChemrytIQ
1000018-50-7nonenonenoneC13H16N2O4264.28-7.3568 ChemrytIQ
10003-94-8nonenonenoneC9H16N2O18P4564.118-31.509 ChemrytIQ
100-81-2nonenonenoneC8H11N121.182-2.1005 ChemrytIQ
1000339-36-5nonenonenoneC16H19NO3S305.397-3.4866 ChemrytIQ
1000269-71-5nonenonehighC12H18N2O2222.287-10.925 ChemrytIQ
1000339-23-0nonenonenoneC6H5N2O2Br217.022-3.3311 ChemrytIQ
100033-12-3nonenonenoneC11H10N3O2Br296.123-13.354 ChemrytIQ
1000000-13-4highhighhighC21H28O12472.441-0.17986 ChemrytIQ
1000018-44-9nonenonenoneC13H16N2O5280.279-2.3885 ChemrytIQ
100-48-1nonenonenoneC6H4N2104.112-6.0498 ChemrytIQ
100-12-9nonenonenoneC8H9NO2151.164-7.7443 ChemrytIQ
100-71-0nonenonenoneC7H9N107.155-2.2725 ChemrytIQ
017257-81-7nonenonenoneC6H10O2114.1430.9106 ChemrytIQ
1000-46-0nonenonenoneC7H18Ge174.83-4.6976 ChemrytIQ
100-96-9highnonenoneC7H10N2O138.169-1.7412 ChemrytIQ
1000068-26-7nonenonenoneC13H15NO4BF279.074-46.077 ChemrytIQ
100-85-6nonenonenoneHO.C10H16N150.244-2.6575 ChemrytIQ
1000166-63-1nonehighnoneC20H23N8O2Br487.361-0.90793 ChemrytIQ
100022-13-7nonenonenoneHCl.C20H21NO4339.392.3133 ChemrytIQ
100007-67-8highnonelowC5H7OClF2156.559-12.702 ChemrytIQ
100012-67-7highhighhighC12H12O5236.222-19.846 ChemrytIQ
100-25-4nonenonenoneC6H4N2O4168.108-7.74 ChemrytIQ
1000068-65-4nonenonenoneC13H15NO4BF279.074-46.077 ChemrytIQ
1000018-10-9nonenonenoneC7H8N2OBr2295.962-5.2121 ChemrytIQ
10003-67-5nonenonenoneC33H62O6554.849-22.973 ChemrytIQ
1000017-98-0nonenonenoneC8H4N2O2BrCl275.489-2.5326 ChemrytIQ
100009-88-9nonenonenoneC18H45N7359.604-4.1108 ChemrytIQ
1000339-55-8nonenonenoneC9H7O2F3204.147-12.197 ChemrytIQ
1000-69-7highnonelowC7H18SSn252.996-9.6969 ChemrytIQ
100-77-6nonenonenoneC6H4N2Cl.Cl139.565-4.1248 ChemrytIQ
100-16-3lowhighnoneC6H7N3O2153.141-9.8627 ChemrytIQ