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850182 40 0 | Cheminformatics

Chemical : (1Z)-3,4,5,6,8,9,10,11-Octahydro-2H-pyrido[1,2-a][1,3]diazocine

Casrn : 850182-40-0

MolName : (1Z)-3,4,5,6,8,9,10,11-Octahydro-2H-pyrido[1,2-a][1,3]diazocine

MolecularFormula : C10H18N2

Smiles : C1C/C2=N/CCCCCN2CC1

InChI : InChI=1S/C10H18N2/c1-3-7-11-10-6-2-5-9-12(10)8-4-1/h1-9H2/b11-10-

InChIK : SXLFGRRKZWZUGO-KHPPLWFESA-N

CanonicalSyTyLFy : 8327fe367b1f696b

TotalMolweight : 166.267

Molweight : 166.267

MonoisotopicMass : 166.146998

CLogP : 1.7562

CLogS : -1.757

H Acceptors : 2

TotalSurfaceArea : 143.61

Relative PSA : 0.10487

PolarSurfaceArea : 15.6

Druglikeness : 0.71922

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.58333

Molecula Flexibility : 0.26148

Molecular Complexity : 0.63811

Fragments : 1

Non HAtoms : 12

NonCHAtoms : 2

Electronegative Atoms : 2

Rings Closures : 2

Small Rings : 1

Sp3Atoms : 9

BasicNitrogens : 1

StereoCon :

CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
10003-42-6nonenonenoneC11H11NO4221.211-4.7046
1000160-97-3nonenonenoneC24H28N2O3.C11H8O3392.4971.9926
1000339-36-5nonenonenoneC16H19NO3S305.397-3.4866
100-07-2highhighlowC8H7O2Cl170.595-10.49
1000068-25-6nonenonenoneC13H15NO4BF279.074-46.077
100-81-2nonenonenoneC8H11N121.182-2.1005
10-31-2001nonenonenoneC21H28NO6P421.428-10.542
1000269-68-0nonenonenoneC14H24N4248.3730.99367
100-18-5nonenonenoneC12H18162.275-2.5088
100-14-1highhighlowC7H6NO2Cl171.583-7.5061
1000017-92-4nonenonenoneC6H4NBr2Cl285.366-3.6
100008-89-7nonenonenoneC11H10N4O3246.225-1.8465
1000018-24-5nonenonenoneC12H18N4O3266.3-0.33651
100-38-9nonenonehighC6H15NS133.2580.17671
100009-23-2nonenonehighC17H22226.362-9.7346
1000-83-5lowhighhighC2H6N2OS106.149-2.264
100007-57-6nonenonenoneC72H113N19O24S61821.19-13.821
100017-22-9highhighhighC5H8O2100.117-8.1063
100-85-6nonenonenoneHO.C10H16N150.244-2.6575
100031-92-3nonenonehighC10H30OSi4278.691-53.619
1000339-25-2nonenonenoneC14H8N2OBrF319.133-1.9975
100011-00-5nonenonenoneC15H24O2236.354-18.044
100-59-4nonenonenoneCl.C6H5Mg101.411-2.3575
1000339-26-3nonenonenoneC14H7N2OBrCl2370.033-0.59356
100-06-1nonenonenoneC9H10O2150.176-1.6836
1000-77-7highhighnoneHCl.C6H15NO6S2261.3181.5333
1000-40-4highnonelowC10H24S2Sn327.143-7.0269
100-93-6highhighhighC19H18N2O2S338.43-12.848
1000068-42-7nonenonenoneC10H11NO3BrFS324.169-2.2263
1000-56-2nonenonenoneC3H7O4S.Na139.151-6.9141
100-39-0highhighnoneC7H7Br171.037-7.8241
1000279-69-5nonenonenoneC20H19N2O3ClS402.9015.7907
100-05-0nonenonenoneCl.C6H4N3O2150.117-9.1371
100008-90-0nonenonenoneC12H11N3O3245.237-1.9187
100004-95-3nonenonenoneC13H11NO3229.234-1.3547
1000-43-7highhighhighC8H18Cl2Si213.223-31.848
100005-01-4nonenonehighC8H21BrSSi2285.397-52.815
10001-43-1nonenonenoneC15H18N6O2314.3484.1828
100-02-7nonenonenoneC6H5NO3139.11-7.5665
1000-84-6nonenonehighC4H9NO87.1215-6.3779
10003-95-9nonenonenoneC10H18N2O17P4562.146-25.989
1000-87-9nonenonenoneC7H1296.1723-2.6557
100-99-2nonenonelowC12H27Al198.328-22.009
10002-97-8nonenonenoneC18H30O2278.4340.24997
1000-90-4nonenonenoneZn.C4H7OS2.C4H7OS2135.231-2.7683
1000-58-4highhighhighC4H8Cl4Si226.006-54.611
100-83-4highnonelowC7H6O2122.123-4.1407
10-13-2009nonenonenoneC15H14O5274.271-1.4702
100-70-9nonenonenoneC6H4N2104.112-6.0498
1000018-51-8nonenonenoneC10H10N2O2S2254.3331.3137
1000-70-0nonelowhighC7H18N2Si2186.406-43.673
1000339-27-4nonenonenoneC14H8N3O3Br346.14-5.8142
1000269-71-5nonenonehighC12H18N2O2222.287-10.925
100-91-4nonenonehighC17H25NO3291.393.3475
1000-23-3highhighlowC4H6O4Cl2Sn307.704-8.6766
1000152-84-0nonenonenoneC6H2NBr2F3304.891-10.75
100-32-3nonenonenoneC12H8N2O4S2308.338-7.3436
100020-95-9highnonelowC12H17OCl212.719-11.962
1000018-44-9nonenonenoneC13H16N2O5280.279-2.3885
100-95-8nonenonenoneCl.C23H41N2O361.592-17.647