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680610 57 5 | Cheminformatics

Chemical : (2,3-Difluorophenyl)(4-methoxyphenyl)methanone

Casrn : 680610-57-5

MolName : (2,3-Difluorophenyl)(4-methoxyphenyl)methanone

MolecularFormula : C14H10O2F2

Smiles : COc(cc1)ccc1C(c1cccc(F)c1F)=O

InChI : InChI=1S/C14H10F2O2/c1-18-10-7-5-9(6-8-10)14(17)11-3-2-4-12(15)13(11)16/h2-8H,1H3

InChIK : GLSFZJUCKOBXET-UHFFFAOYSA-N

CanonicalSyTyLFy : 3b2bed0a9f4cd73f

TotalMolweight : 248.227

Molweight : 248.227

MonoisotopicMass : 248.064886

CLogP : 2.9212

CLogS : -4.362

H Acceptors : 2

TotalSurfaceArea : 185.73

Relative PSA : 0.12405

PolarSurfaceArea : 26.3

Druglikeness : -2.3327

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.61111

Molecula Flexibility : 0.54481

Molecular Complexity : 0.7177

Fragments : 1

Non HAtoms : 18

NonCHAtoms : 4

Electronegative Atoms : 4

Rotatable Bond : 3

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 2

Symmetricatoms : 2

StereoCon :

CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
1000160-75-7nonenonelowC14H17O2BS260.164-20.35
1000-69-7highnonelowC7H18SSn252.996-9.6969
1000018-21-2nonenonenoneC17H25N3O6S399.467-41.344
100005-44-5highnonelowC7H5O2ClS188.634-11.771
10-13-2009nonenonenoneC15H14O5274.271-1.4702
1000-23-3highhighlowC4H6O4Cl2Sn307.704-8.6766
100023-32-3highhighnoneCH3O4S.C20H19N2O303.3840.7545
100008-84-2nonenonenoneC22H14N2O2338.3653.1859
1000-90-4nonenonenoneZn.C4H7OS2.C4H7OS2135.231-2.7683
100-79-8nonelownoneC6H12O3132.158-9.8672
1000018-24-5nonenonenoneC12H18N4O3266.3-0.33651
100009-01-6nonenonenoneC15H13N3O3283.286-2.3895
100-91-4nonenonehighC17H25NO3291.393.3475
100009-99-2lowhighnoneC21H25NO4355.4332.9337
1000025-93-3nonenonenoneC20H17NO4335.358-1.6731
1000339-54-7nonenonenoneC9H7O2F3204.147-11.176
100-05-0nonenonenoneCl.C6H4N3O2150.117-9.1371
100021-81-6nonenonenoneH3O4P.C20H42N2O326.566-22.282
1000-22-2lowhighlowC6H14O2FPS200.213-11.052
1000-57-3highnonelowC6H16SSn238.969-7.4261
1000017-92-4nonenonenoneC6H4NBr2Cl285.366-3.6
100-02-7nonenonenoneC6H5NO3139.11-7.5665
1000-83-5lowhighhighC2H6N2OS106.149-2.264
1000-56-2nonenonenoneC3H7O4S.Na139.151-6.9141
100-23-2nonehighnoneC8H10N2O2166.179-5.0759
10001-08-8nonenonehighC11H22N2O198.309-3.1037
1000289-40-6nonenonenoneC7H4N2Br2S307.997-2.2608
1000-58-4highhighhighC4H8Cl4Si226.006-54.611
100-50-5nonenonehighC7H10O110.155-9.6048
1000-86-8nonenonenoneC7H1296.1723-10.397
1000018-48-3nonenonenoneC12H15NO4S269.321.5148
100008-36-4nonenonenoneC17H22O2258.36-5.6379
100-19-6nonenonenoneC8H7NO3165.148-7.0365
100-71-0nonenonenoneC7H9N107.155-2.2725
1000-41-5nonenonelowC10H18O154.252-9.05
1000269-71-5nonenonehighC12H18N2O2222.287-10.925
1000120-98-8highnonehighC230H305N67O122P19S197158.06-20.81
1000025-59-1nonenonenoneC14H11O3Cl262.691-1.449
100-00-5nonenonenoneC6H4NO2Cl157.556-7.4592
1000068-24-5nonenonelowC13H15NO4BCl295.529-44.638
1000018-58-5nonenonenoneC6H4NBr2Cl285.366-3.6
1000068-25-6nonenonenoneC13H15NO4BF279.074-46.077
1000-77-7highhighnoneHCl.C6H15NO6S2261.3181.5333
1000-36-8nonenonenoneC11H25O3P236.29-27.011
100-25-4nonenonenoneC6H4N2O4168.108-7.74
100-15-2nonehighnoneC7H8N2O2152.153-5.7806
1000018-13-2nonenonenoneC11H14NO2Br272.141-5.4951
1000068-23-4nonelownoneC14H18NO5B291.11-44.603
1000339-32-1nonenonenoneC11H14NF179.2370.6275
1000-68-6nonenonenoneC3H9NO3S2171.24-3.0843
1000339-33-2nonenonenoneC10H11NClF199.6550.76
100009-23-2nonenonehighC17H22226.362-9.7346
1000303-67-2nonenonenoneC6H8N2O124.1432.717
100-18-5nonenonenoneC12H18162.275-2.5088
1000339-52-5nonenonenoneC7H3N2O2F166.111-12.761
10001-46-4nonenonenoneC9H11N3O3209.2041.9565
1000018-49-4nonenonenoneC14H19NO5S313.3732.5797
1000010-11-6nonenonenoneC28H44N2O2440.669-21.689
1000068-65-4nonenonenoneC13H15NO4BF279.074-46.077
100-13-0nonenonelowC8H7NO2149.149-10.212