100 67 4 | Cheminformatics

Potassium phenoxide

Formula:K.C6H5O CAS:100-67-4

PropertyValue
Casrn100-67-4
MolNamePotassium phenoxide
MolecularFormulaK.C6H5O
Smiles[O-]c1ccccc1.[K+]
InChIInChI=1S/C6H6O.K/c7-6-4-2-1-3-5-6;/h1-5,7H;/q;+1/p-1
InChIKZGJADVGJIVEEGF-UHFFFAOYSA-M
CanonicalSyTyLFy685cbb199badc40e
TotalMolweight132.203
Molweight93.1047
MonoisotopicMass93.03404
CLogP-0.2641
CLogS-1.32
H Acceptors1
TotalSurfaceArea80.79
Relative PSA0.17675
PolarSurfaceArea23.06
Druglikeness-2.2548
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.71429
Molecular Complexity0.64864
Fragments2
Non HAtoms7
NonCHAtoms1
Electronegative Atoms1
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms1
Symmetricatoms2
StereoCon
CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
1000000-13-4highhighhighC21H28O12472.441-0.17986
1000-87-9nonenonenoneC7H1296.1723-2.6557
100019-40-7nonenonenoneC14H15NO3245.277-1.947
10001-08-8nonenonehighC11H22N2O198.309-3.1037
1000-23-3highhighlowC4H6O4Cl2Sn307.704-8.6766
100-66-3highnonehighC7H8O108.14-2.0846
100005-12-7nonenonelowC11H10NCl191.662.2675
100005-68-3nonenonenoneC13H12O4232.234-4.9451
100027-27-8nonenonenoneCH3I.C20H24N2292.4253.4994
1000339-33-2nonenonenoneC10H11NClF199.6550.76
10000-20-1nonelowhighC12H32N2Si2260.572-64.51
1000068-26-7nonenonenoneC13H15NO4BF279.074-46.077
100-17-4nonenonenoneC7H7NO3153.137-7.2945
100004-95-3nonenonenoneC13H11NO3229.234-1.3547
1000-70-0nonelowhighC7H18N2Si2186.406-43.673
100-16-3lowhighnoneC6H7N3O2153.141-9.8627
1000017-92-4nonenonenoneC6H4NBr2Cl285.366-3.6
100-47-0highnonehighC7H5N103.124-6.0498
1000-40-4highnonelowC10H24S2Sn327.143-7.0269
100-15-2nonehighnoneC7H8N2O2152.153-5.7806
100008-36-4nonenonenoneC17H22O2258.36-5.6379
10003-69-7nonenonenoneC10H14O8S4390.4770.2775
1000339-31-0nonenonehighC12H16NCl209.7190.65299
100-18-5nonenonenoneC12H18162.275-2.5088
100-91-4nonenonehighC17H25NO3291.393.3475
100007-40-7nonenonenoneC31H42N4O7582.695-0.42167
100-92-5nonenonenoneC11H17N163.2631.1672
100007-87-2nonenonenoneC16H9N2OBr325.1640.88714
100-25-4nonenonenoneC6H4N2O4168.108-7.74
100008-84-2nonenonenoneC22H14N2O2338.3653.1859
1000289-40-6nonenonenoneC7H4N2Br2S307.997-2.2608
100027-90-5highhighnoneC20H26N2Cl2.HCl.HCl365.3464.1664
100010-99-9nonenonenoneC11H24O2188.31-23.185
100-61-8highnonenoneC7H9N107.155-0.23765
100-41-4highhighhighC8H10106.167-2.68
1000018-51-8nonenonenoneC10H10N2O2S2254.3331.3137
100004-92-0nonenonenoneC16H11NO2249.268-1.5746
1000-16-4nonenonenoneC13H30NO3P279.359-34.244
10000-42-7highhighlowC20H18N4O3362.388-5.7793
10002-30-9nonenonenoneC12H9NOS215.2750.083087
10-18-2004nonenonenoneC6H8OS2160.261-3.1913
1000339-28-5nonenonenoneC14H8N2OBrCl335.588-0.59356
1000018-49-4nonenonenoneC14H19NO5S313.3732.5797
1000284-35-4nonenonehighC16H24O4280.363-11.936
1000018-58-5nonenonenoneC6H4NBr2Cl285.366-3.6
100-71-0nonenonenoneC7H9N107.155-2.2725
1000304-40-4nonenonenoneC11H17NO179.2622.2651
100004-54-4nonehighnoneC4H8Te183.708-3.9699
1000-46-0nonenonenoneC7H18Ge174.83-4.6976
1000339-29-6nonenonenoneC14H15N2OBr307.19-5.8756
100020-94-8highnonelowC12H17OCl212.719-11.962
1000339-45-6nonenonehighC8H14O2F2180.193-28.199
1000068-24-5nonenonelowC13H15NO4BCl295.529-44.638
1000339-36-5nonenonenoneC16H19NO3S305.397-3.4866
1000-90-4nonenonenoneZn.C4H7OS2.C4H7OS2135.231-2.7683
100-87-8nonenonenoneC7H8O3S172.204-10.732
1000018-70-1nonenonenoneC15H18N2O6322.316-6.5762
100-93-6highhighhighC19H18N2O2S338.43-12.848
1000-69-7highnonelowC7H18SSn252.996-9.6969
100011-01-6nonenonenoneC9H18O2158.24-2.3462