Chemryt - We contribute to the Chemicals, Pharmaceutical & Biotech industry using information technology

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
100-18-5nonenonenoneC12H18162.275-2.5088
100004-80-6nonenonenoneC13H11NO3229.234-1.3547
10000-42-7highhighlowC20H18N4O3362.388-5.7793
100-97-0highhighhighC6H12N4140.1891.5849
100-79-8nonelownoneC6H12O3132.158-9.8672
1000-50-6nonenonehighC6H15ClSi150.724-84.768
100-39-0highhighnoneC7H7Br171.037-7.8241
100-45-8nonenonehighC7H9N107.155-10.018
1000-83-5lowhighhighC2H6N2OS106.149-2.264
100005-12-7nonenonelowC11H10NCl191.662.2675
100004-54-4nonehighnoneC4H8Te183.708-3.9699
100-33-4nonenonenoneC19H24N4O2340.426-7.2784
1000303-67-2nonenonenoneC6H8N2O124.1432.717
100-81-2nonenonenoneC8H11N121.182-2.1005
1000339-29-6nonenonenoneC14H15N2OBr307.19-5.8756
100-07-2highhighlowC8H7O2Cl170.595-10.49
100-48-1nonenonenoneC6H4N2104.112-6.0498
100-54-9nonenonenoneC6H4N2104.112-6.0498
100-85-6nonenonenoneHO.C10H16N150.244-2.6575
100021-46-3nonenonenoneC9H11NO2165.191-3.1955
100021-84-9highhighhighH3O4P.C18H36O2.C2H8N2284.482-25.216
100-34-5nonenonenoneCl.C6H5N2105.12-4.365
100-74-3highnonehighC6H13NO115.1753.7593
100010-00-2nonenonenoneC20H23NO5357.405-3.7157
100008-90-0nonenonenoneC12H11N3O3245.237-1.9187
100-59-4nonenonenoneCl.C6H5Mg101.411-2.3575
10002-97-8nonenonenoneC18H30O2278.4340.24997
1000-16-4nonenonenoneC13H30NO3P279.359-34.244
100-68-5nonenonenoneC7H8S124.207-1.735
1000018-40-5lowhighnoneC11H16N2O2S240.3261.4856
1000018-59-6nonenonelowC10H15O2BrS279.197-14.078
100-44-7highhighnoneC7H7Cl126.586-2.365
1000018-48-3nonenonenoneC12H15NO4S269.321.5148
100027-27-8nonenonenoneCH3I.C20H24N2292.4253.4994
1000025-93-3nonenonenoneC20H17NO4335.358-1.6731
1000160-97-3nonenonenoneC24H28N2O3.C11H8O3392.4971.9926
1000018-10-9nonenonenoneC7H8N2OBr2295.962-5.2121
1000017-97-9nonenonenoneC10H11N3O2205.216-1.3937
100010-02-4nonenonenoneC14H23NO221.343-6.1109
1000017-98-0nonenonenoneC8H4N2O2BrCl275.489-2.5326
10001-51-1nonenonenoneC9H18N2O170.2555.9677
1000025-92-2nonenonenoneC20H16N2O2316.359-6.3825
100-02-7nonenonenoneC6H5NO3139.11-7.5665
1000284-35-4nonenonehighC16H24O4280.363-11.936
100-82-3nonenonenoneC7H8NF125.146-3.4112
100001-06-7nonenonenoneI.C20H28NO298.448-2.3411
100-04-9nonehighnoneCl.C8H10N3148.188-2.0275
100-29-8nonenonenoneC8H9NO3167.163-8.928
1000018-52-9nonenonenoneC11H12N2O2S2268.361.3179
100003-81-4highhighnoneC8H7N2OClS214.6761.4208
100-00-5nonenonenoneC6H4NO2Cl157.556-7.4592
1000-63-1nonenonehighC8H18O130.23-19.78
017257-81-7nonenonenoneC6H10O2114.1430.9106
100020-34-6nonenonenoneC13H18S2238.418-0.23079
10003-67-5nonenonenoneC33H62O6554.849-22.973
1000058-38-7nonenonenoneC11H12N2O2204.228-4.6529
1000-36-8nonenonenoneC11H25O3P236.29-27.011
100004-79-3nonenonenoneC13H11NO2213.235-1.5864
100005-79-6nonenonenoneC12H9NS199.276-2.6106
100-86-7nonenonenoneC10H14O150.22-2.4187