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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
1000-84-6nonenonehighC4H9NO87.1215-6.3779
1000018-70-1nonenonenoneC15H18N2O6322.316-6.5762
1000068-65-4nonenonenoneC13H15NO4BF279.074-46.077
1000339-31-0nonenonehighC12H16NCl209.7190.65299
100-66-3highnonehighC7H8O108.14-2.0846
1000068-26-7nonenonenoneC13H15NO4BF279.074-46.077
10-31-2001nonenonenoneC21H28NO6P421.428-10.542
1000339-25-2nonenonenoneC14H8N2OBrF319.133-1.9975
100-81-2nonenonenoneC8H11N121.182-2.1005
1000339-28-5nonenonenoneC14H8N2OBrCl335.588-0.59356
1000-40-4highnonelowC10H24S2Sn327.143-7.0269
1000339-52-5nonenonenoneC7H3N2O2F166.111-12.761
10-13-2009nonenonenoneC15H14O5274.271-1.4702
1000-43-7highhighhighC8H18Cl2Si213.223-31.848
100004-81-7nonenonenoneC13H11NO3229.234-1.3547
100-77-6nonenonenoneC6H4N2Cl.Cl139.565-4.1248
100-56-1highlowlowC6H5ClHg313.149-2.3575
1000018-44-9nonenonenoneC13H16N2O5280.279-2.3885
1000152-84-0nonenonenoneC6H2NBr2F3304.891-10.75
100007-54-3nonenonenoneC28H30O13574.533-1.9839
1000017-93-5nonenonenoneC8H5N2O2Cl196.5932.9136
10000-20-1nonelowhighC12H32N2Si2260.572-64.51
100012-67-7highhighhighC12H12O5236.222-19.846
100-45-8nonenonehighC7H9N107.155-10.018
100003-85-8highhighnoneC13H8N2OCl2S311.1921.0858
100021-81-6nonenonenoneH3O4P.C20H42N2O326.566-22.282
100007-62-3nonenonehighC8H13NO139.197-8.1398
100-16-3lowhighnoneC6H7N3O2153.141-9.8627
1000160-75-7nonenonelowC14H17O2BS260.164-20.35
1000339-55-8nonenonenoneC9H7O2F3204.147-12.197
100-58-3nonenonenoneBr.C6H5Mg101.411-2.3575
1000335-27-2nonenonenoneC10H15N4OCl242.7090.81574
100-86-7nonenonenoneC10H14O150.22-2.4187
1000339-30-9nonenonenoneC8H10N3Cl183.6412.1
100-06-1nonenonenoneC9H10O2150.176-1.6836
10002-30-9nonenonenoneC12H9NOS215.2750.083087
1000284-35-4nonenonehighC16H24O4280.363-11.936
100-18-5nonenonenoneC12H18162.275-2.5088
100010-99-9nonenonenoneC11H24O2188.31-23.185
100-93-6highhighhighC19H18N2O2S338.43-12.848
1000160-97-3nonenonenoneC24H28N2O3.C11H8O3392.4971.9926
100-02-7nonenonenoneC6H5NO3139.11-7.5665
100-53-8nonehighhighC7H8S124.207-6.3177
100003-81-4highhighnoneC8H7N2OClS214.6761.4208
100-64-1highhighnoneC6H11NO113.159-6.4182
1000-56-2nonenonenoneC3H7O4S.Na139.151-6.9141
100031-92-3nonenonehighC10H30OSi4278.691-53.619
100020-34-6nonenonenoneC13H18S2238.418-0.23079
1000-22-2lowhighlowC6H14O2FPS200.213-11.052
1000-83-5lowhighhighC2H6N2OS106.149-2.264
1000017-94-6nonenonenoneC8H5N2O2Cl196.5932.9136
100-91-4nonenonehighC17H25NO3291.393.3475
100031-98-9nonenonehighC12H29O4F3Si4406.696-100.78
100008-36-4nonenonenoneC17H22O2258.36-5.6379
017257-81-7nonenonenoneC6H10O2114.1430.9106
100-19-6nonenonenoneC8H7NO3165.148-7.0365
1000339-34-3nonenonenoneC11H12N3OBr282.14-5.9074
100004-93-1nonehighnoneC16H11NO2249.268-1.5746
100-82-3nonenonenoneC7H8NF125.146-3.4112
1000198-80-0nonenonenoneC11H14NF179.237-0.04876