Mercury 2,2',2''-nitrilotriacetate (3/2)

CAS Number: 18105-03-8

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[O-]C(CN(CC([O-])=O)CC([O-])=O)=O.[O-]C(CN(CC([O-])=O)CC([O-])=O)=O.[Hg+2].[Hg+2].[Hg+2]

Molecule Information

Mutagenic: none Tumorigenic: none Irritant: none

Formula

Hg.Hg.Hg.C6H6NO6.C6H6NO6

Molecular Weight

188.115

Drug-likeness

-8.2426

CAS

18105-03-8

InChI key

WWWGWSRFHCVNJV-UHFFFAOYSA-H

SMILES

[O-]C(CN(CC([O-])=O)CC([O-])=O)=O.[O-]C(CN(CC([O-])=O)CC([O-])=O)=O.[Hg+2].[Hg+2].[Hg+2]

ChemrytIQ

CAS Information Snapshot

1 database item

Mutagenic

none

Tumorigenic

none

Handling Watch

Irritant: none | Reproductive effective: none

Molecule Information
Related CAS

Property	Value
CAS Number	18105-03-8
Molecule Name	Mercury 2,2',2''-nitrilotriacetate (3/2)
Molecular Formula	Hg.Hg.Hg.C6H6NO6.C6H6NO6
SMILES	[O-]C(CN(CC([O-])=O)CC([O-])=O)=O.[O-]C(CN(CC([O-])=O)CC([O-])=O)=O.[Hg+2].[Hg+2].[Hg+2]
InChI	InChI=1S/2C6H9NO6.3Hg/c28-4(9)1-7(2-5(10)11)3-6(12)13;;;/h21-3H2,(H,8,9)(H,10,11)(H,12,13);;;/q;;3*+2/p-6
InChI Key	WWWGWSRFHCVNJV-UHFFFAOYSA-H
CanonicalSyTyLFy	fb2ee97406bdf510
TotalMolweight	977.999
Molecular Weight	188.115
MonoisotopicMass	188.019514
CLogP	-10.087
CLogS	0.868
H Acceptors	7
TotalSurfaceArea	140.92
Relative PSA	0.6068
PolarSurfaceArea	123.63
Drug-likeness	-8.2426
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.53846
Molecula Flexibility	0.81361
Molecular Complexity	0.49074
Fragments	5
Non HAtoms	13
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Sp3Atoms	7
Symmetricatoms	8
Amines	1
AlkylAmines	1
BasicNitrogens	1
AcidicOxygens	3

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CAS Number	Mutagenic	Tumorigenic	Irritant	Molecule Formula	Mol Weight	Druglikeness	ChemrytIQ
1000160-97-3	none	none	none	C24H28N2O3.C11H8O3	392.497	1.9926	ChemrytIQ
1000017-92-4	none	none	none	C6H4NBr2Cl	285.366	-3.6	ChemrytIQ
100021-82-7	none	none	none	H3O4P.C18H38N2O	298.513	-22.282	ChemrytIQ
100009-88-9	none	none	none	C18H45N7	359.604	-4.1108	ChemrytIQ
100-63-0	high	high	none	C6H8N2	108.144	-4.3224	ChemrytIQ
1000152-84-0	none	none	none	C6H2NBr2F3	304.891	-10.75	ChemrytIQ
100005-68-3	none	none	none	C13H12O4	232.234	-4.9451	ChemrytIQ
100008-84-2	none	none	none	C22H14N2O2	338.365	3.1859	ChemrytIQ
100031-92-3	none	none	high	C10H30OSi4	278.691	-53.619	ChemrytIQ
100-59-4	none	none	none	Cl.C6H5Mg	101.411	-2.3575	ChemrytIQ
100007-57-6	none	none	none	C72H113N19O24S6	1821.19	-13.821	ChemrytIQ
1000018-10-9	none	none	none	C7H8N2OBr2	295.962	-5.2121	ChemrytIQ
100-16-3	low	high	none	C6H7N3O2	153.141	-9.8627	ChemrytIQ
100021-47-4	none	none	none	C13H17N5O6	339.307	-2.7249	ChemrytIQ
100-90-3	none	none	none	C14H16N4O3S	320.372	4.7301	ChemrytIQ
1000269-67-9	none	none	none	C13H22N4	234.346	0.99367	ChemrytIQ
1000018-23-4	none	none	none	C12H17N3O3	251.285	2.8124	ChemrytIQ
100-62-9	low	none	none	C7H7N	105.14	-1.1924	ChemrytIQ
1000018-70-1	none	none	none	C15H18N2O6	322.316	-6.5762	ChemrytIQ
1000068-24-5	none	none	low	C13H15NO4BCl	295.529	-44.638	ChemrytIQ
100-75-4	high	high	high	C5H10N2O	114.147	-0.86877	ChemrytIQ
100-85-6	none	none	none	HO.C10H16N	150.244	-2.6575	ChemrytIQ
100011-00-5	none	none	none	C15H24O2	236.354	-18.044	ChemrytIQ
100027-33-6	none	none	none	I.C21H27N2O	323.458	3.6949	ChemrytIQ
100-09-4	none	none	none	C8H8O3	152.149	-1.597	ChemrytIQ
100020-83-5	none	none	low	C7H11O3B	153.972	-20.814	ChemrytIQ
10000-42-7	high	high	low	C20H18N4O3	362.388	-5.7793	ChemrytIQ
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1000339-54-7	none	none	none	C9H7O2F3	204.147	-11.176	ChemrytIQ
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100031-98-9	none	none	high	C12H29O4F3Si4	406.696	-100.78	ChemrytIQ
100004-79-3	none	none	none	C13H11NO2	213.235	-1.5864	ChemrytIQ
100002-29-7	none	none	none	C12H18N2O3	238.286	2.8956	ChemrytIQ
100009-92-5	none	none	none	C20H23NO4	341.406	4.6216	ChemrytIQ
1000160-75-7	none	none	low	C14H17O2BS	260.164	-20.35	ChemrytIQ
1000335-27-2	none	none	none	C10H15N4OCl	242.709	0.81574	ChemrytIQ
100-94-7	none	none	none	Cl.C16H20N	226.342	-1.9788	ChemrytIQ
100-22-1	high	high	none	C10H16N2	164.251	0.40939	ChemrytIQ
100-29-8	none	none	none	C8H9NO3	167.163	-8.928	ChemrytIQ
100005-44-5	high	none	low	C7H5O2ClS	188.634	-11.771	ChemrytIQ
100010-99-9	none	none	none	C11H24O2	188.31	-23.185	ChemrytIQ
100-53-8	none	high	high	C7H8S	124.207	-6.3177	ChemrytIQ
1000017-98-0	none	none	none	C8H4N2O2BrCl	275.489	-2.5326	ChemrytIQ
100-83-4	high	none	low	C7H6O2	122.123	-4.1407	ChemrytIQ
100016-58-8	none	high	none	C19H19NO5	341.362	1.8385	ChemrytIQ
10003-69-7	none	none	none	C10H14O8S4	390.477	0.2775	ChemrytIQ
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100-07-2	high	high	low	C8H7O2Cl	170.595	-10.49	ChemrytIQ
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100-45-8	none	none	high	C7H9N	107.155	-10.018	ChemrytIQ
100021-79-2	none	high	high	C16H32O2.C2H8N2	256.428	-25.216	ChemrytIQ
1000339-26-3	none	none	none	C14H7N2OBrCl2	370.033	-0.59356	ChemrytIQ
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100008-90-0	none	none	none	C12H11N3O3	245.237	-1.9187	ChemrytIQ
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