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
1000-16-4nonenonenoneC13H30NO3P279.359-34.244
100008-84-2nonenonenoneC22H14N2O2338.3653.1859
100011-00-5nonenonenoneC15H24O2236.354-18.044
100021-79-2nonehighhighC16H32O2.C2H8N2256.428-25.216
1000339-30-9nonenonenoneC8H10N3Cl183.6412.1
1000018-52-9nonenonenoneC11H12N2O2S2268.361.3179
100-20-9highnonelowC8H4O2Cl2203.024-10.706
100027-90-5highhighnoneC20H26N2Cl2.HCl.HCl365.3464.1664
100007-54-3nonenonenoneC28H30O13574.533-1.9839
100-66-3highnonehighC7H8O108.14-2.0846
100008-36-4nonenonenoneC17H22O2258.36-5.6379
100019-40-7nonenonenoneC14H15NO3245.277-1.947
1000017-94-6nonenonenoneC8H5N2O2Cl196.5932.9136
100-13-0nonenonelowC8H7NO2149.149-10.212
100005-12-7nonenonelowC11H10NCl191.662.2675
100019-64-5nonenonenoneC9H10N2O7FP308.157-34.083
1000152-84-0nonenonenoneC6H2NBr2F3304.891-10.75
10001-52-2highhighnoneC11H10N6O3S306.3056.7202
100-53-8nonehighhighC7H8S124.207-6.3177
1000279-69-5nonenonenoneC20H19N2O3ClS402.9015.7907
100-15-2nonehighnoneC7H8N2O2152.153-5.7806
1000269-65-7nonenonenoneC12H19N3205.3040.25629
10002-06-9nonenonenoneC10H8N3ClS237.7142.0874
1000018-50-7nonenonenoneC13H16N2O4264.28-7.3568
1000160-75-7nonenonelowC14H17O2BS260.164-20.35
100-83-4highnonelowC7H6O2122.123-4.1407
1000018-59-6nonenonelowC10H15O2BrS279.197-14.078
100-04-9nonehighnoneCl.C8H10N3148.188-2.0275
100033-12-3nonenonenoneC11H10N3O2Br296.123-13.354
100-65-2highnonenoneC6H7NO109.128-1.548
1000-40-4highnonelowC10H24S2Sn327.143-7.0269
1000-56-2nonenonenoneC3H7O4S.Na139.151-6.9141
1000058-38-7nonenonenoneC11H12N2O2204.228-4.6529
10003-42-6nonenonenoneC11H11NO4221.211-4.7046
100031-88-7nonenonehighC10H30O3Si4310.689-53.619
100-85-6nonenonenoneHO.C10H16N150.244-2.6575
017257-81-7nonenonenoneC6H10O2114.1430.9106
10-00-4nonenonenoneC28H34O8498.57-4.8409
100-76-5nonenonehighC7H13N111.1873.5517
100-00-5nonenonenoneC6H4NO2Cl157.556-7.4592
1000198-76-4nonenonenoneC11H12NF3215.217-5.8988
100-64-1highhighnoneC6H11NO113.159-6.4182
1000339-27-4nonenonenoneC14H8N3O3Br346.14-5.8142
1000018-48-3nonenonenoneC12H15NO4S269.321.5148
100-28-7highlowlowC7H4N2O3164.12-21.552
100-21-0highnonehighC8H6O4166.132-1.8442
100004-95-3nonenonenoneC13H11NO3229.234-1.3547
1000339-32-1nonenonenoneC11H14NF179.2370.6275
1000339-54-7nonenonenoneC9H7O2F3204.147-11.176
1000171-05-0nonenonenoneC27H37O3P440.562-24.592
100011-01-6nonenonenoneC9H18O2158.24-2.3462
100007-40-7nonenonenoneC31H42N4O7582.695-0.42167
100-54-9nonenonenoneC6H4N2104.112-6.0498
100016-58-8nonehighnoneC19H19NO5341.3621.8385
1000-63-1nonenonehighC8H18O130.23-19.78
1000160-96-2nonenonenoneC24H28N2O3.C2H4O2392.4971.9926
100021-47-4nonenonenoneC13H17N5O6339.307-2.7249
1000303-67-2nonenonenoneC6H8N2O124.1432.717
100-63-0highhighnoneC6H8N2108.144-4.3224
100-99-2nonenonelowC12H27Al198.328-22.009