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99690 64 9 | Cheminformatics

Chemical : Hypophosphoric acid, tetrapotassium salt

Casrn : 99690-64-9

MolName : Hypophosphoric acid, tetrapotassium salt

MolecularFormula : K.K.K.K.O6P2

Smiles : [O-]P([O-])(P([O-])([O-])=O)=O.[K+].[K+].[K+].[K+]

InChI : InChI=1S/4K.H4O6P2/c;;;;1-7(2,3)8(4,5)6/h;;;;(H2,1,2,3)(H2,4,5,6)/q4*+1;/p-4

InChIK : RILFGEIJJMTZLZ-UHFFFAOYSA-J

CanonicalSyTyLFy : a8e05923a6ff61df

TotalMolweight : 314.334

Molweight : 157.942

MonoisotopicMass : 157.917014

CLogP : -12.244

CLogS : 4.092

H Acceptors : 6

TotalSurfaceArea : 91.16

Relative PSA : 1

PolarSurfaceArea : 146

Druglikeness : -10.098

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.5

Molecula Flexibility : 0.73469

Molecular Complexity : 0.64864

Fragments : 5

Non HAtoms : 8

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 1

Sp3Atoms : 6

Symmetricatoms : 5

AcidicOxygens : 4

StereoCon :

CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
10003-67-5nonenonenoneC33H62O6554.849-22.973
1000339-22-9nonenonenoneC8H5NO4F2217.127-8.0943
100005-44-5highnonelowC7H5O2ClS188.634-11.771
10001-13-5nonenonehighC12H22N2O210.323.9217
1000160-96-2nonenonenoneC24H28N2O3.C2H4O2392.4971.9926
100-90-3nonenonenoneC14H16N4O3S320.3724.7301
100-33-4nonenonenoneC19H24N4O2340.426-7.2784
100-28-7highlowlowC7H4N2O3164.12-21.552
100032-79-9nonehighnoneC6H6N3O2Br.HCl232.037-11.653
1000-90-4nonenonenoneZn.C4H7OS2.C4H7OS2135.231-2.7683
100-74-3highnonehighC6H13NO115.1753.7593
100-70-9nonenonenoneC6H4N2104.112-6.0498
1000018-71-2nonenonehighC14H19N3O4293.322-2.5213
100007-62-3nonenonehighC8H13NO139.197-8.1398
1000-46-0nonenonenoneC7H18Ge174.83-4.6976
1000025-92-2nonenonenoneC20H16N2O2316.359-6.3825
100-29-8nonenonenoneC8H9NO3167.163-8.928
1000160-75-7nonenonelowC14H17O2BS260.164-20.35
100011-00-5nonenonenoneC15H24O2236.354-18.044
100021-84-9highhighhighH3O4P.C18H36O2.C2H8N2284.482-25.216
100-59-4nonenonenoneCl.C6H5Mg101.411-2.3575
10003-95-9nonenonenoneC10H18N2O17P4562.146-25.989
1000339-33-2nonenonenoneC10H11NClF199.6550.76
100-79-8nonelownoneC6H12O3132.158-9.8672
1000339-51-4nonenonenoneC7H4NO4F185.11-8.2861
1000010-11-6nonenonenoneC28H44N2O2440.669-21.689
1000018-06-3nonenonenoneC8H8N3Br226.0770.34749
100-83-4highnonelowC7H6O2122.123-4.1407
100-13-0nonenonelowC8H7NO2149.149-10.212
1000339-27-4nonenonenoneC14H8N3O3Br346.14-5.8142
1000171-05-0nonenonenoneC27H37O3P440.562-24.592
100021-46-3nonenonenoneC9H11NO2165.191-3.1955
1000025-59-1nonenonenoneC14H11O3Cl262.691-1.449
100010-02-4nonenonenoneC14H23NO221.343-6.1109
1000-70-0nonelowhighC7H18N2Si2186.406-43.673
100-76-5nonenonehighC7H13N111.1873.5517
1000-05-1nonenonehighC8H26O3Si4282.635-83.299
100004-95-3nonenonenoneC13H11NO3229.234-1.3547
100-47-0highnonehighC7H5N103.124-6.0498
1000018-07-4nonenonenoneC14H13N3O239.2771.9531
1000335-27-2nonenonenoneC10H15N4OCl242.7090.81574
100033-59-8nonenonenoneC8H16N2140.2290.9406
1000-63-1nonenonehighC8H18O130.23-19.78
1000058-38-7nonenonenoneC11H12N2O2204.228-4.6529
100004-79-3nonenonenoneC13H11NO2213.235-1.5864
100008-89-7nonenonenoneC11H10N4O3246.225-1.8465
1000166-63-1nonehighnoneC20H23N8O2Br487.361-0.90793
100007-55-4nonenonenoneC35H39O19763.676-1.2907
1000018-51-8nonenonenoneC10H10N2O2S2254.3331.3137
1000-86-8nonenonenoneC7H1296.1723-10.397
1000-22-2lowhighlowC6H14O2FPS200.213-11.052
100008-36-4nonenonenoneC17H22O2258.36-5.6379
017257-81-7nonenonenoneC6H10O2114.1430.9106
1000339-23-0nonenonenoneC6H5N2O2Br217.022-3.3311
1000068-42-7nonenonenoneC10H11NO3BrFS324.169-2.2263
1000-28-8nonenonenoneC6H3OF11300.067-44.343
10-00-4nonenonenoneC28H34O8498.57-4.8409
100-11-8lowhighnoneC7H6NO2Br216.034-13.162
100021-79-2nonehighhighC16H32O2.C2H8N2256.428-25.216
1000198-80-0nonenonenoneC11H14NF179.237-0.04876