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55392 76 2 | Cheminformatics

Chemical : Chromic acid, manganese salt

Casrn : 55392-76-2

MolName : Chromic acid, manganese salt

MolecularFormula : Mn.O4Cr

Smiles : [O-][Cr]([O-])(=O)=O.[Mn+2]

InChI : InChI=1S/Cr.Mn.4O/q;+2;;;2*-1

InChIK : YPXVWYIINFOJPF-UHFFFAOYSA-N

CanonicalSyTyLFy : df0d877ad631ead4

TotalMolweight : 170.93

Molweight : 115.992

MonoisotopicMass : 115.920169

CLogP : 0.6634

CLogS : 2.01

H Acceptors : 4

TotalSurfaceArea : 54.64

Relative PSA : 1

PolarSurfaceArea : 80.26

Druglikeness : -10.178

Mutagenic : low

Tumorigenic : low

Reproductive Effective : high

Irritant : high

Nasty Functions : unwanted atom

Shape Index : 0.6

Molecular Complexity : 0.69315

Fragments : 2

Non HAtoms : 5

NonCHAtoms : 5

Metal Atoms : 1

Electronegative Atoms : 4

Sp3Atoms : 2

Symmetricatoms : 2

StereoCon :

CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
1000-44-8highhighlowC7H7Cl126.586-8.5908
100021-05-4nonenonenoneC21H28O2312.4510.95307
100019-40-7nonenonenoneC14H15NO3245.277-1.947
10002-37-6nonenonenoneC9H16N2O168.239-3.8085
1000-41-5nonenonelowC10H18O154.252-9.05
100-65-2highnonenoneC6H7NO109.128-1.548
1000-36-8nonenonenoneC11H25O3P236.29-27.011
1000017-92-4nonenonenoneC6H4NBr2Cl285.366-3.6
1000018-10-9nonenonenoneC7H8N2OBr2295.962-5.2121
10002-30-9nonenonenoneC12H9NOS215.2750.083087
100-44-7highhighnoneC7H7Cl126.586-2.365
1000339-25-2nonenonenoneC14H8N2OBrF319.133-1.9975
1000018-21-2nonenonenoneC17H25N3O6S399.467-41.344
10000-20-1nonelowhighC12H32N2Si2260.572-64.51
1000000-13-4highhighhighC21H28O12472.441-0.17986
1000018-48-3nonenonenoneC12H15NO4S269.321.5148
100031-92-3nonenonehighC10H30OSi4278.691-53.619
100-63-0highhighnoneC6H8N2108.144-4.3224
100-20-9highnonelowC8H4O2Cl2203.024-10.706
1000339-28-5nonenonenoneC14H8N2OBrCl335.588-0.59356
100-49-2nonenonenoneC7H14O114.187-9.3679
10000-51-8nonenonenoneC14H15NO3245.2770.10503
100017-22-9highhighhighC5H8O2100.117-8.1063
100004-95-3nonenonenoneC13H11NO3229.234-1.3547
100-19-6nonenonenoneC8H7NO3165.148-7.0365
1000339-31-0nonenonehighC12H16NCl209.7190.65299
100-56-1highlowlowC6H5ClHg313.149-2.3575
1000171-05-0nonenonenoneC27H37O3P440.562-24.592
100-09-4nonenonenoneC8H8O3152.149-1.597
100-91-4nonenonehighC17H25NO3291.393.3475
100-47-0highnonehighC7H5N103.124-6.0498
100005-68-3nonenonenoneC13H12O4232.234-4.9451
100-29-8nonenonenoneC8H9NO3167.163-8.928
1000339-33-2nonenonenoneC10H11NClF199.6550.76
1000018-39-2highhighlowC13H20N2O2S268.381.9315
1000339-27-4nonenonenoneC14H8N3O3Br346.14-5.8142
100-77-6nonenonenoneC6H4N2Cl.Cl139.565-4.1248
100-95-8nonenonenoneCl.C23H41N2O361.592-17.647
10001-52-2highhighnoneC11H10N6O3S306.3056.7202
100-34-5nonenonenoneCl.C6H5N2105.12-4.365
1000289-40-6nonenonenoneC7H4N2Br2S307.997-2.2608
100-13-0nonenonelowC8H7NO2149.149-10.212
100005-79-6nonenonenoneC12H9NS199.276-2.6106
1000-70-0nonelowhighC7H18N2Si2186.406-43.673
1000-23-3highhighlowC4H6O4Cl2Sn307.704-8.6766
10-18-2004nonenonenoneC6H8OS2160.261-3.1913
1000-30-2nonenonehighC9H16O140.225-7.4662
100-71-0nonenonenoneC7H9N107.155-2.2725
100-02-7nonenonenoneC6H5NO3139.11-7.5665
100011-00-5nonenonenoneC15H24O2236.354-18.044
100027-90-5highhighnoneC20H26N2Cl2.HCl.HCl365.3464.1664
100008-90-0nonenonenoneC12H11N3O3245.237-1.9187
1000018-51-8nonenonenoneC10H10N2O2S2254.3331.3137
1000-00-6nonenonehighC10H26OSi2218.487-62.76
10001-30-6nonenonenoneC17H14O4282.294-0.8408
100-70-9nonenonenoneC6H4N2104.112-6.0498
1000018-52-9nonenonenoneC11H12N2O2S2268.361.3179
10001-46-4nonenonenoneC9H11N3O3209.2041.9565
1000339-36-5nonenonenoneC16H19NO3S305.397-3.4866
100-86-7nonenonenoneC10H14O150.22-2.4187