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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
1000-63-1nonenonehighC8H18O130.23-19.78
100028-43-1nonenonenoneBr.C21H35N2315.523-2.5218
1000339-54-7nonenonenoneC9H7O2F3204.147-11.176
10003-94-8nonenonenoneC9H16N2O18P4564.118-31.509
1000335-27-2nonenonenoneC10H15N4OCl242.7090.81574
10003-95-9nonenonenoneC10H18N2O17P4562.146-25.989
100-67-4nonenonenoneK.C6H5O93.1047-2.2548
100-77-6nonenonenoneC6H4N2Cl.Cl139.565-4.1248
1000-36-8nonenonenoneC11H25O3P236.29-27.011
1000198-80-0nonenonenoneC11H14NF179.237-0.04876
100-18-5nonenonenoneC12H18162.275-2.5088
10000-20-1nonelowhighC12H32N2Si2260.572-64.51
100-47-0highnonehighC7H5N103.124-6.0498
1000284-35-4nonenonehighC16H24O4280.363-11.936
100005-79-6nonenonenoneC12H9NS199.276-2.6106
1000-86-8nonenonenoneC7H1296.1723-10.397
1000-70-0nonelowhighC7H18N2Si2186.406-43.673
100020-34-6nonenonenoneC13H18S2238.418-0.23079
100-54-9nonenonenoneC6H4N2104.112-6.0498
1000339-27-4nonenonenoneC14H8N3O3Br346.14-5.8142
1000303-67-2nonenonenoneC6H8N2O124.1432.717
1000017-98-0nonenonenoneC8H4N2O2BrCl275.489-2.5326
1000017-93-5nonenonenoneC8H5N2O2Cl196.5932.9136
100-81-2nonenonenoneC8H11N121.182-2.1005
100-69-6nonenonenoneC7H7N105.14-4.4598
1000289-40-6nonenonenoneC7H4N2Br2S307.997-2.2608
100-94-7nonenonenoneCl.C16H20N226.342-1.9788
100-22-1highhighnoneC10H16N2164.2510.40939
10002-06-9nonenonenoneC10H8N3ClS237.7142.0874
10001-08-8nonenonehighC11H22N2O198.309-3.1037
100-06-1nonenonenoneC9H10O2150.176-1.6836
100021-46-3nonenonenoneC9H11NO2165.191-3.1955
100004-93-1nonehighnoneC16H11NO2249.268-1.5746
1000018-58-5nonenonenoneC6H4NBr2Cl285.366-3.6
100-10-7nonehighhighC9H11NO149.192-1.8715
100-20-9highnonelowC8H4O2Cl2203.024-10.706
1000018-22-3nonenonenoneC16H22N3O4Br400.272-33.051
100-89-0nonenonelowC18H36O6B2370.1-16.157
017257-81-7nonenonenoneC6H10O2114.1430.9106
1000-91-5nonenonehighC5H14OSi118.251-35.679
100-97-0highhighhighC6H12N4140.1891.5849
100016-58-8nonehighnoneC19H19NO5341.3621.8385
1000339-13-8lownonelowC7H10NO4ClS239.678-21.883
1000018-25-6nonenonenoneC13H24N2O6S336.408-32.405
1000269-51-1nonenonenoneC13H12NO4B257.052-12.285
100-85-6nonenonenoneHO.C10H16N150.244-2.6575
1000160-75-7nonenonelowC14H17O2BS260.164-20.35
100-66-3highnonehighC7H8O108.14-2.0846
100013-07-8nonenonenoneC18H32B.Li259.263-11.013
100002-29-7nonenonenoneC12H18N2O3238.2862.8956
100007-87-2nonenonenoneC16H9N2OBr325.1640.88714
1000018-50-7nonenonenoneC13H16N2O4264.28-7.3568
1000025-92-2nonenonenoneC20H16N2O2316.359-6.3825
10001-82-8nonenonenoneC24H26N4O5S482.5599.4242
1000-41-5nonenonelowC10H18O154.252-9.05
100-00-5nonenonenoneC6H4NO2Cl157.556-7.4592
100010-02-4nonenonenoneC14H23NO221.343-6.1109
10-00-4nonenonenoneC28H34O8498.57-4.8409
1000017-94-6nonenonenoneC8H5N2O2Cl196.5932.9136
10003-42-6nonenonenoneC11H11NO4221.211-4.7046