Chemryt - We contribute to the Chemicals, Pharmaceutical & Biotech industry using information technology

1017464 12 8 | Cheminformatics

Chemical : (2,7-Dichloroquinolin-3-yl)methanol

Casrn : 1017464-12-8

MolName : (2,7-Dichloroquinolin-3-yl)methanol

MolecularFormula : C10H7NOCl2

Smiles : OCc(c(Cl)nc1c2)cc1ccc2Cl

InChI : InChI=1S/C10H7Cl2NO/c11-8-2-1-6-3-7(5-14)10(12)13-9(6)4-8/h1-4,14H,5H2

InChIK : SSKYNRIEVZJCMZ-UHFFFAOYSA-N

CanonicalSyTyLFy : 110da60601f84014

TotalMolweight : 228.078

Molweight : 228.078

MonoisotopicMass : 226.990468

CLogP : 2.6877

CLogS : -3.441

H Acceptors : 2

H Donors : 1

TotalSurfaceArea : 157.57

Relative PSA : 0.15276

PolarSurfaceArea : 33.12

Druglikeness : -1.7337

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.64286

Molecula Flexibility : 0.18147

Molecular Complexity : 0.71581

Fragments : 1

Non HAtoms : 14

NonCHAtoms : 4

Electronegative Atoms : 4

Rotatable Bond : 1

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 2

Aromatic Atoms : 10

Sp3Atoms : 2

Aromatic Nitrogens : 1

StereoCon :

CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
1000166-63-1nonehighnoneC20H23N8O2Br487.361-0.90793
100-10-7nonehighhighC9H11NO149.192-1.8715
10001-30-6nonenonenoneC17H14O4282.294-0.8408
1000-16-4nonenonenoneC13H30NO3P279.359-34.244
1000017-97-9nonenonenoneC10H11N3O2205.216-1.3937
1000-50-6nonenonehighC6H15ClSi150.724-84.768
10003-69-7nonenonenoneC10H14O8S4390.4770.2775
1000068-42-7nonenonenoneC10H11NO3BrFS324.169-2.2263
100-39-0highhighnoneC7H7Br171.037-7.8241
1000269-65-7nonenonenoneC12H19N3205.3040.25629
100005-79-6nonenonenoneC12H9NS199.276-2.6106
100-77-6nonenonenoneC6H4N2Cl.Cl139.565-4.1248
100-22-1highhighnoneC10H16N2164.2510.40939
100-73-2highnonenoneC6H8O2112.128-6.3422
1000339-30-9nonenonenoneC8H10N3Cl183.6412.1
100-05-0nonenonenoneCl.C6H4N3O2150.117-9.1371
100-87-8nonenonenoneC7H8O3S172.204-10.732
100007-54-3nonenonenoneC28H30O13574.533-1.9839
100-48-1nonenonenoneC6H4N2104.112-6.0498
100021-46-3nonenonenoneC9H11NO2165.191-3.1955
1000025-92-2nonenonenoneC20H16N2O2316.359-6.3825
1000018-58-5nonenonenoneC6H4NBr2Cl285.366-3.6
1000160-97-3nonenonenoneC24H28N2O3.C11H8O3392.4971.9926
1000068-23-4nonelownoneC14H18NO5B291.11-44.603
100007-55-4nonenonenoneC35H39O19763.676-1.2907
1000018-40-5lowhighnoneC11H16N2O2S240.3261.4856
10001-13-5nonenonehighC12H22N2O210.323.9217
10-31-2001nonenonenoneC21H28NO6P421.428-10.542
1000-91-5nonenonehighC5H14OSi118.251-35.679
100-19-6nonenonenoneC8H7NO3165.148-7.0365
10000-42-7highhighlowC20H18N4O3362.388-5.7793
1000000-13-4highhighhighC21H28O12472.441-0.17986
100-41-4highhighhighC8H10106.167-2.68
100-20-9highnonelowC8H4O2Cl2203.024-10.706
1000068-24-5nonenonelowC13H15NO4BCl295.529-44.638
100-29-8nonenonenoneC8H9NO3167.163-8.928
100-54-9nonenonenoneC6H4N2104.112-6.0498
100021-82-7nonenonenoneH3O4P.C18H38N2O298.513-22.282
1000010-11-6nonenonenoneC28H44N2O2440.669-21.689
1000160-96-2nonenonenoneC24H28N2O3.C2H4O2392.4971.9926
10001-08-8nonenonehighC11H22N2O198.309-3.1037
100021-84-9highhighhighH3O4P.C18H36O2.C2H8N2284.482-25.216
100-63-0highhighnoneC6H8N2108.144-4.3224
1000018-39-2highhighlowC13H20N2O2S268.381.9315
100033-12-3nonenonenoneC11H10N3O2Br296.123-13.354
100-51-6highhighhighC7H8O108.14-2.2456
10-18-2004nonenonenoneC6H8OS2160.261-3.1913
1000-67-5nonenonehighC4H9O4S.Na153.177-10.412
1000-58-4highhighhighC4H8Cl4Si226.006-54.611
1000-36-8nonenonenoneC11H25O3P236.29-27.011
100-64-1highhighnoneC6H11NO113.159-6.4182
100031-76-3nonenonenoneC30H44NO8P577.652-46.719
100-75-4highhighhighC5H10N2O114.147-0.86877
1000068-26-7nonenonenoneC13H15NO4BF279.074-46.077
100021-05-4nonenonenoneC21H28O2312.4510.95307
1000017-92-4nonenonenoneC6H4NBr2Cl285.366-3.6
100004-54-4nonehighnoneC4H8Te183.708-3.9699
100-47-0highnonehighC7H5N103.124-6.0498
1000018-56-3nonenonenoneC7H4N3O2Br242.032-0.39052
1000018-71-2nonenonehighC14H19N3O4293.322-2.5213