100 59 4 | Cheminformatics

Magnesium, chlorophenyl-

Formula:Cl.C6H5Mg CAS:100-59-4

PropertyValue
Casrn100-59-4
MolNameMagnesium, chlorophenyl-
MolecularFormulaCl.C6H5Mg
Smiles[Mg+]c1ccccc1.[Cl-]
InChIInChI=1S/C6H5.ClH.Mg/c1-2-4-6-5-3-1;;/h1-5H;1H;/q;;+1/p-1
InChIKGQONLASZRVFGHI-UHFFFAOYSA-M
CanonicalSyTyLFya97252bbe15ec8dc
TotalMolweight136.864
Molweight101.411
MonoisotopicMass101.024167
CLogP1.383
CLogS-1.435
TotalSurfaceArea66.51
Druglikeness-2.3575
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.71429
Molecular Complexity0.64864
Fragments2
Non HAtoms7
NonCHAtoms1
Metal Atoms1
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Symmetricatoms2
StereoCon
CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
100-96-9highnonenoneC7H10N2O138.169-1.7412
1000269-66-8nonenonenoneC12H20N4220.3190.5423
100031-98-9nonenonehighC12H29O4F3Si4406.696-100.78
1000339-30-9nonenonenoneC8H10N3Cl183.6412.1
1000018-24-5nonenonenoneC12H18N4O3266.3-0.33651
1000025-59-1nonenonenoneC14H11O3Cl262.691-1.449
100012-67-7highhighhighC12H12O5236.222-19.846
100-07-2highhighlowC8H7O2Cl170.595-10.49
100021-47-4nonenonenoneC13H17N5O6339.307-2.7249
100-11-8lowhighnoneC7H6NO2Br216.034-13.162
100003-85-8highhighnoneC13H8N2OCl2S311.1921.0858
1000269-71-5nonenonehighC12H18N2O2222.287-10.925
1000018-07-4nonenonenoneC14H13N3O239.2771.9531
100-54-9nonenonenoneC6H4N2104.112-6.0498
100-14-1highhighlowC7H6NO2Cl171.583-7.5061
1000-40-4highnonelowC10H24S2Sn327.143-7.0269
100008-84-2nonenonenoneC22H14N2O2338.3653.1859
10000-51-8nonenonenoneC14H15NO3245.2770.10503
1000160-96-2nonenonenoneC24H28N2O3.C2H4O2392.4971.9926
100-58-3nonenonenoneBr.C6H5Mg101.411-2.3575
100007-57-6nonenonenoneC72H113N19O24S61821.19-13.821
100002-29-7nonenonenoneC12H18N2O3238.2862.8956
100004-95-3nonenonenoneC13H11NO3229.234-1.3547
100-25-4nonenonenoneC6H4N2O4168.108-7.74
100005-44-5highnonelowC7H5O2ClS188.634-11.771
100004-94-2nonenonenoneC13H11NO2213.235-1.5864
100020-94-8highnonelowC12H17OCl212.719-11.962
1000-50-6nonenonehighC6H15ClSi150.724-84.768
100-93-6highhighhighC19H18N2O2S338.43-12.848
100-64-1highhighnoneC6H11NO113.159-6.4182
1000-58-4highhighhighC4H8Cl4Si226.006-54.611
1000-63-1nonenonehighC8H18O130.23-19.78
10001-82-8nonenonenoneC24H26N4O5S482.5599.4242
1000269-51-1nonenonenoneC13H12NO4B257.052-12.285
100-27-6lownonenoneC8H9NO3167.163-9.2735
1000339-33-2nonenonenoneC10H11NClF199.6550.76
1000160-75-7nonenonelowC14H17O2BS260.164-20.35
1000296-70-7nonenonenoneC19H27NO7S3477.6213.1322
100-51-6highhighhighC7H8O108.14-2.2456
1000339-29-6nonenonenoneC14H15N2OBr307.19-5.8756
1000339-36-5nonenonenoneC16H19NO3S305.397-3.4866
100005-01-4nonenonehighC8H21BrSSi2285.397-52.815
1000279-69-5nonenonenoneC20H19N2O3ClS402.9015.7907
100001-06-7nonenonenoneI.C20H28NO298.448-2.3411
1000-57-3highnonelowC6H16SSn238.969-7.4261
100009-23-2nonenonehighC17H22226.362-9.7346
1000-22-2lowhighlowC6H14O2FPS200.213-11.052
100019-64-5nonenonenoneC9H10N2O7FP308.157-34.083
100-83-4highnonelowC7H6O2122.123-4.1407
1000018-13-2nonenonenoneC11H14NO2Br272.141-5.4951
100021-79-2nonehighhighC16H32O2.C2H8N2256.428-25.216
100-18-5nonenonenoneC12H18162.275-2.5088
100-12-9nonenonenoneC8H9NO2151.164-7.7443
1000303-67-2nonenonenoneC6H8N2O124.1432.717
100-57-2highlowlowC6H6OHg294.703-2.3891
1000339-28-5nonenonenoneC14H8N2OBrCl335.588-0.59356
10-00-4nonenonenoneC28H34O8498.57-4.8409
100-04-9nonehighnoneCl.C8H10N3148.188-2.0275
1000304-40-4nonenonenoneC11H17NO179.2622.2651
1000018-22-3nonenonenoneC16H22N3O4Br400.272-33.051