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100009 88 9 | Cheminformatics

Chemical : 4,8,12,16,20-Pentaazatricosane-1,23-diamine

Casrn : 100009-88-9

MolName : 4,8,12,16,20-Pentaazatricosane-1,23-diamine

MolecularFormula : C18H45N7

Smiles : NCCCNCCCNCCCNCCCNCCCNCCCN

InChI : InChI=1S/C18H45N7/c19-7-1-9-21-11-3-13-23-15-5-17-25-18-6-16-24-14-4-12-22-10-2-8-20/h21-25H,1-20H2

InChIK : LAYOOZVBIWBYHB-UHFFFAOYSA-N

CanonicalSyTyLFy : dab8924d648b3e64

TotalMolweight : 359.604

Molweight : 359.604

MonoisotopicMass : 359.373643

CLogP : -1.7789

CLogS : -0.667

H Acceptors : 7

H Donors : 7

TotalSurfaceArea : 335.52

Relative PSA : 0.2618

PolarSurfaceArea : 112.19

Druglikeness : -4.1108

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 1

Molecula Flexibility : 0.67791

Molecular Complexity : 0.36642

Fragments : 1

Non HAtoms : 25

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 22

Sp3Atoms : 25

Symmetricatoms : 12

Amines : 7

AlkylAmines : 7

BasicNitrogens : 7

StereoCon :

CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
1000018-49-4nonenonenoneC14H19NO5S313.3732.5797
1000-63-1nonenonehighC8H18O130.23-19.78
1000339-54-7nonenonenoneC9H7O2F3204.147-11.176
10001-51-1nonenonenoneC9H18N2O170.2555.9677
100-11-8lowhighnoneC7H6NO2Br216.034-13.162
1000018-25-6nonenonenoneC13H24N2O6S336.408-32.405
100021-84-9highhighhighH3O4P.C18H36O2.C2H8N2284.482-25.216
100019-40-7nonenonenoneC14H15NO3245.277-1.947
1000025-93-3nonenonenoneC20H17NO4335.358-1.6731
1000018-50-7nonenonenoneC13H16N2O4264.28-7.3568
100004-79-3nonenonenoneC13H11NO2213.235-1.5864
100-69-6nonenonenoneC7H7N105.14-4.4598
100021-05-4nonenonenoneC21H28O2312.4510.95307
100004-78-2nonenonenoneC16H11NO2249.268-1.5746
1000289-40-6nonenonenoneC7H4N2Br2S307.997-2.2608
100021-79-2nonehighhighC16H32O2.C2H8N2256.428-25.216
100004-80-6nonenonenoneC13H11NO3229.234-1.3547
100-93-6highhighhighC19H18N2O2S338.43-12.848
100-63-0highhighnoneC6H8N2108.144-4.3224
100-38-9nonenonehighC6H15NS133.2580.17671
10001-82-8nonenonenoneC24H26N4O5S482.5599.4242
100028-43-1nonenonenoneBr.C21H35N2315.523-2.5218
10000-42-7highhighlowC20H18N4O3362.388-5.7793
100-70-9nonenonenoneC6H4N2104.112-6.0498
100-58-3nonenonenoneBr.C6H5Mg101.411-2.3575
100007-62-3nonenonehighC8H13NO139.197-8.1398
100031-92-3nonenonehighC10H30OSi4278.691-53.619
100-55-0nonenonenoneC6H7NO109.128-1.9045
1000018-71-2nonenonehighC14H19N3O4293.322-2.5213
100-87-8nonenonenoneC7H8O3S172.204-10.732
10-18-2004nonenonenoneC6H8OS2160.261-3.1913
1000269-67-9nonenonenoneC13H22N4234.3460.99367
100020-94-8highnonelowC12H17OCl212.719-11.962
1000-90-4nonenonenoneZn.C4H7OS2.C4H7OS2135.231-2.7683
100010-00-2nonenonenoneC20H23NO5357.405-3.7157
1000018-56-3nonenonenoneC7H4N3O2Br242.032-0.39052
100001-06-7nonenonenoneI.C20H28NO298.448-2.3411
100-85-6nonenonenoneHO.C10H16N150.244-2.6575
1000152-84-0nonenonenoneC6H2NBr2F3304.891-10.75
100-73-2highnonenoneC6H8O2112.128-6.3422
1000-91-5nonenonehighC5H14OSi118.251-35.679
100-15-2nonehighnoneC7H8N2O2152.153-5.7806
100-41-4highhighhighC8H10106.167-2.68
1000-83-5lowhighhighC2H6N2OS106.149-2.264
1000018-10-9nonenonenoneC7H8N2OBr2295.962-5.2121
100-50-5nonenonehighC7H10O110.155-9.6048
100-65-2highnonenoneC6H7NO109.128-1.548
1000335-27-2nonenonenoneC10H15N4OCl242.7090.81574
100004-81-7nonenonenoneC13H11NO3229.234-1.3547
1000-57-3highnonelowC6H16SSn238.969-7.4261
100019-64-5nonenonenoneC9H10N2O7FP308.157-34.083
1000018-51-8nonenonenoneC10H10N2O2S2254.3331.3137
100010-21-7nonenonenoneC14H21NO219.327-4.2999
100-95-8nonenonenoneCl.C23H41N2O361.592-17.647
1000269-71-5nonenonehighC12H18N2O2222.287-10.925
1000339-52-5nonenonenoneC7H3N2O2F166.111-12.761
100009-99-2lowhighnoneC21H25NO4355.4332.9337
1000-05-1nonenonehighC8H26O3Si4282.635-83.299
10003-67-5nonenonenoneC33H62O6554.849-22.973
1000339-23-0nonenonenoneC6H5N2O2Br217.022-3.3311