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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
1000-46-0nonenonenoneC7H18Ge174.83-4.6976
1000-82-4lowhighhighC2H6N2O290.08160.41759
100-32-3nonenonenoneC12H8N2O4S2308.338-7.3436
100-04-9nonehighnoneCl.C8H10N3148.188-2.0275
10001-82-8nonenonenoneC24H26N4O5S482.5599.4242
100021-82-7nonenonenoneH3O4P.C18H38N2O298.513-22.282
10002-37-6nonenonenoneC9H16N2O168.239-3.8085
1000339-36-5nonenonenoneC16H19NO3S305.397-3.4866
1000018-51-8nonenonenoneC10H10N2O2S2254.3331.3137
1000-44-8highhighlowC7H7Cl126.586-8.5908
100-51-6highhighhighC7H8O108.14-2.2456
1000335-27-2nonenonenoneC10H15N4OCl242.7090.81574
1000160-96-2nonenonenoneC24H28N2O3.C2H4O2392.4971.9926
1000284-35-4nonenonehighC16H24O4280.363-11.936
1000017-92-4nonenonenoneC6H4NBr2Cl285.366-3.6
1000-28-8nonenonenoneC6H3OF11300.067-44.343
100-64-1highhighnoneC6H11NO113.159-6.4182
100-45-8nonenonehighC7H9N107.155-10.018
1000-87-9nonenonenoneC7H1296.1723-2.6557
100-13-0nonenonelowC8H7NO2149.149-10.212
1000339-23-0nonenonenoneC6H5N2O2Br217.022-3.3311
100-10-7nonehighhighC9H11NO149.192-1.8715
100001-06-7nonenonenoneI.C20H28NO298.448-2.3411
100005-12-7nonenonelowC11H10NCl191.662.2675
100007-54-3nonenonenoneC28H30O13574.533-1.9839
100-54-9nonenonenoneC6H4N2104.112-6.0498
100-18-5nonenonenoneC12H18162.275-2.5088
100033-12-3nonenonenoneC11H10N3O2Br296.123-13.354
100-17-4nonenonenoneC7H7NO3153.137-7.2945
10001-51-1nonenonenoneC9H18N2O170.2555.9677
100-27-6lownonenoneC8H9NO3167.163-9.2735
1000339-29-6nonenonenoneC14H15N2OBr307.19-5.8756
100031-98-9nonenonehighC12H29O4F3Si4406.696-100.78
100021-47-4nonenonenoneC13H17N5O6339.307-2.7249
1000152-84-0nonenonenoneC6H2NBr2F3304.891-10.75
1000339-45-6nonenonehighC8H14O2F2180.193-28.199
100-05-0nonenonenoneCl.C6H4N3O2150.117-9.1371
10001-43-1nonenonenoneC15H18N6O2314.3484.1828
100008-90-0nonenonenoneC12H11N3O3245.237-1.9187
100-70-9nonenonenoneC6H4N2104.112-6.0498
1000-30-2nonenonehighC9H16O140.225-7.4662
1000-16-4nonenonenoneC13H30NO3P279.359-34.244
1000289-40-6nonenonenoneC7H4N2Br2S307.997-2.2608
1000339-54-7nonenonenoneC9H7O2F3204.147-11.176
100-16-3lowhighnoneC6H7N3O2153.141-9.8627
100007-40-7nonenonenoneC31H42N4O7582.695-0.42167
10001-13-5nonenonehighC12H22N2O210.323.9217
10001-08-8nonenonehighC11H22N2O198.309-3.1037
100-56-1highlowlowC6H5ClHg313.149-2.3575
100-79-8nonelownoneC6H12O3132.158-9.8672
100-19-6nonenonenoneC8H7NO3165.148-7.0365
100009-01-6nonenonenoneC15H13N3O3283.286-2.3895
1000339-25-2nonenonenoneC14H8N2OBrF319.133-1.9975
1000198-80-0nonenonenoneC11H14NF179.237-0.04876
1000303-67-2nonenonenoneC6H8N2O124.1432.717
1000-86-8nonenonenoneC7H1296.1723-10.397
10003-73-3nonenonenoneHCl.C7H10N2122.17-2.0712
100-50-5nonenonehighC7H10O110.155-9.6048
100-40-3nonenonehighC8H12108.183-9.1684
100021-05-4nonenonenoneC21H28O2312.4510.95307