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Chemical : Phosphonic acid, P,P',P'',P'''-[[(phosphonomethyl)imino]bis[6,1-hexanediylnitrilobis(methylene)]]tetrakis-, potassium salt (1:10)

Casrn : 50654-30-3

MolName : Phosphonic acid, P,P',P'',P'''-[[(phosphonomethyl)imino]bis[6,1-hexanediylnitrilobis(methylene)]]tetrakis-, potassium salt (1:10)

MolecularFormula : K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.

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

InChI : InChI=1S/C17H44N3O15P5.98K/c21-36(22,23)13-18(9-5-1-3-7-11-19(14-37(24,25)26)15-38(27,28)29)10-6-2-4-8-12-20(16-39(30,31)32)17-40(33,34)35;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h1-17H2,(H2,21,22,

InChIK : JQHHMYTWNJWRBO-UHFFFAOYSA-D

CanonicalSyTyLFy : 50d37e639793e735

TotalMolweight : 4506.94

Molweight : 675.333

MonoisotopicMass : 675.067807

CLogP : -30.994

CLogS : 0.622

H Acceptors : 18

TotalSurfaceArea : 472.47

Relative PSA : 0.5049

PolarSurfaceArea : 374.72

Druglikeness : -14.745

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.525

Molecula Flexibility : 0.71857

Molecular Complexity : 0.68861

Fragments : 99

Non HAtoms : 40

NonCHAtoms : 23

Electronegative Atoms : 23

Rotatable Bond : 24

Sp3Atoms : 35

Symmetricatoms : 24

BasicNitrogens : 3

AcidicOxygens : 10

StereoCon :

CAS Number	Mutagenic	Tumorigenic	Irritant	Molecule Formula	Mol Weight	Druglikeness
100004-80-6	none	none	none	C13H11NO3	229.234	-1.3547
10002-30-9	none	none	none	C12H9NOS	215.275	0.083087
100-01-6	none	none	none	C6H6N2O2	138.126	-7.2389
100010-99-9	none	none	none	C11H24O2	188.31	-23.185
10001-43-1	none	none	none	C15H18N6O2	314.348	4.1828
100004-95-3	none	none	none	C13H11NO3	229.234	-1.3547
1000068-42-7	none	none	none	C10H11NO3BrFS	324.169	-2.2263
10001-30-6	none	none	none	C17H14O4	282.294	-0.8408
100009-92-5	none	none	none	C20H23NO4	341.406	4.6216
100031-92-3	none	none	high	C10H30OSi4	278.691	-53.619
100-82-3	none	none	none	C7H8NF	125.146	-3.4112
1000018-23-4	none	none	none	C12H17N3O3	251.285	2.8124
100007-62-3	none	none	high	C8H13NO	139.197	-8.1398
100017-22-9	high	high	high	C5H8O2	100.117	-8.1063
1000058-38-7	none	none	none	C11H12N2O2	204.228	-4.6529
1000018-13-2	none	none	none	C11H14NO2Br	272.141	-5.4951
100031-76-3	none	none	none	C30H44NO8P	577.652	-46.719
1000018-50-7	none	none	none	C13H16N2O4	264.28	-7.3568
100-99-2	none	none	low	C12H27Al	198.328	-22.009
100021-84-9	high	high	high	H3O4P.C18H36O2.C2H8N2	284.482	-25.216
100-52-7	high	high	high	C7H6O	106.124	-4.225
1000-56-2	none	none	none	C3H7O4S.Na	139.151	-6.9141
1000018-48-3	none	none	none	C12H15NO4S	269.32	1.5148
100-94-7	none	none	none	Cl.C16H20N	226.342	-1.9788
100019-64-5	none	none	none	C9H10N2O7FP	308.157	-34.083
1000339-28-5	none	none	none	C14H8N2OBrCl	335.588	-0.59356
100022-13-7	none	none	none	HCl.C20H21NO4	339.39	2.3133
1000000-13-4	high	high	high	C21H28O12	472.441	-0.17986
100-61-8	high	none	none	C7H9N	107.155	-0.23765
100-69-6	none	none	none	C7H7N	105.14	-4.4598
100-55-0	none	none	none	C6H7NO	109.128	-1.9045
1000296-70-7	none	none	none	C19H27NO7S3	477.621	3.1322
100007-87-2	none	none	none	C16H9N2OBr	325.164	0.88714
100-05-0	none	none	none	Cl.C6H4N3O2	150.117	-9.1371
100-15-2	none	high	none	C7H8N2O2	152.153	-5.7806
100-00-5	none	none	none	C6H4NO2Cl	157.556	-7.4592
1000335-27-2	none	none	none	C10H15N4OCl	242.709	0.81574
100021-81-6	none	none	none	H3O4P.C20H42N2O	326.566	-22.282
1000269-51-1	none	none	none	C13H12NO4B	257.052	-12.285
1000017-93-5	none	none	none	C8H5N2O2Cl	196.593	2.9136
100019-40-7	none	none	none	C14H15NO3	245.277	-1.947
1000269-68-0	none	none	none	C14H24N4	248.373	0.99367
1000018-58-5	none	none	none	C6H4NBr2Cl	285.366	-3.6
100-71-0	none	none	none	C7H9N	107.155	-2.2725
100-09-4	none	none	none	C8H8O3	152.149	-1.597
100-54-9	none	none	none	C6H4N2	104.112	-6.0498
100-62-9	low	none	none	C7H7N	105.14	-1.1924
100008-90-0	none	none	none	C12H11N3O3	245.237	-1.9187
1000339-51-4	none	none	none	C7H4NO4F	185.11	-8.2861
100027-33-6	none	none	none	I.C21H27N2O	323.458	3.6949
1000284-35-4	none	none	high	C16H24O4	280.363	-11.936
1000-23-3	high	high	low	C4H6O4Cl2Sn	307.704	-8.6766
100-04-9	none	high	none	Cl.C8H10N3	148.188	-2.0275
1000-46-0	none	none	none	C7H18Ge	174.83	-4.6976
100004-54-4	none	high	none	C4H8Te	183.708	-3.9699
100-93-6	high	high	high	C19H18N2O2S	338.43	-12.848
1000269-71-5	none	none	high	C12H18N2O2	222.287	-10.925
1000339-24-1	none	none	none	C7H4NOF	137.113	-7.3916
100-17-4	none	none	none	C7H7NO3	153.137	-7.2945
100007-67-8	high	none	low	C5H7OClF2	156.559	-12.702

1 Click to Load Molecule - Phosphonic acid, P,P',P'',P'''-[[(phosphonomethyl)imino]bis[6,1-hexanediylnitrilobis(methylene)]]tetrakis-, potassium salt (1:10)
2 Click to Load Molecule - Phosphonic acid, P,P',P'',P'''-[[(phosphonomethyl)imino]bis[6,1-hexanediylnitrilobis(methylene)]]tetrakis-, potassium salt (1:10)

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Chemical : Phosphonic acid, P,P',P'',P'''-[[(phosphonomethyl)imino]bis[6,1-hexanediylnitrilobis(methylene)]]tetrakis-, potassium salt (1:10)