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

1000018 23 4 Ethyl 1-(6-oxo-1,6-dihydropyridazin-4-yl)piperidine-4-carboxylate | Chemryt

Chemical : Ethyl 1-(6-oxo-1,6-dihydropyridazin-4-yl)piperidine-4-carboxylate

Casrn : 1000018-23-4

MolName : Ethyl 1-(6-oxo-1,6-dihydropyridazin-4-yl)piperidine-4-carboxylate

MolecularFormula : C12H17N3O3

Smiles : CCOC(C(CC1)CCN1C(C=NN1)=CC1=O)=O

InChI : InChI=1S/C12H17N3O3/c1-2-18-12(17)9-3-5-15(6-4-9)10-7-11(16)14-13-8-10/h7-9H,2-6H2,1H3,(H,14,16)

InChIK : LKAKDRBQUGHAAE-UHFFFAOYSA-N

CanonicalSyTyLFy : f726bcf7bed755bd

TotalMolweight : 251.285

Molweight : 251.285

MonoisotopicMass : 251.126992

CLogP : 0.337

CLogS : -1.741

H Acceptors : 6

H Donors : 1

TotalSurfaceArea : 196.79

Relative PSA : 0.31811

PolarSurfaceArea : 71

Druglikeness : 2.8124

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Shape Index : 0.66667

Molecula Flexibility : 0.51734

Molecular Complexity : 0.6593

Fragments : 1

Non HAtoms : 18

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 4

Rings Closures : 2

Small Rings : 2

Sp3Atoms : 8

Symmetricatoms : 2

CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
1000-57-3highnonelowC6H16SSn238.969-7.4261
1000018-23-4nonenonenoneC12H17N3O3251.2852.8124
1000018-52-9nonenonenoneC11H12N2O2S2268.361.3179
100008-36-4nonenonenoneC17H22O2258.36-5.6379
1000-83-5lowhighhighC2H6N2OS106.149-2.264
1000339-23-0nonenonenoneC6H5N2O2Br217.022-3.3311
1000-91-5nonenonehighC5H14OSi118.251-35.679
100-96-9highnonenoneC7H10N2O138.169-1.7412
100005-79-6nonenonenoneC12H9NS199.276-2.6106
1000339-55-8nonenonenoneC9H7O2F3204.147-12.197
100020-34-6nonenonenoneC13H18S2238.418-0.23079
100-07-2highhighlowC8H7O2Cl170.595-10.49
100004-78-2nonenonenoneC16H11NO2249.268-1.5746
1000296-71-8nonenonehighC19H27NO8S3493.62-2.9952
10001-30-6nonenonenoneC17H14O4282.294-0.8408
100020-94-8highnonelowC12H17OCl212.719-11.962
1000-30-2nonenonehighC9H16O140.225-7.4662
100021-81-6nonenonenoneH3O4P.C20H42N2O326.566-22.282
100005-12-7nonenonelowC11H10NCl191.662.2675
100027-27-8nonenonenoneCH3I.C20H24N2292.4253.4994
100013-07-8nonenonenoneC18H32B.Li259.263-11.013
100-27-6lownonenoneC8H9NO3167.163-9.2735
100-68-5nonenonenoneC7H8S124.207-1.735
100-33-4nonenonenoneC19H24N4O2340.426-7.2784
1000339-45-6nonenonehighC8H14O2F2180.193-28.199
1000-05-1nonenonehighC8H26O3Si4282.635-83.299
100-32-3nonenonenoneC12H8N2O4S2308.338-7.3436
100027-90-5highhighnoneC20H26N2Cl2.HCl.HCl365.3464.1664
100002-29-7nonenonenoneC12H18N2O3238.2862.8956
1000018-51-8nonenonenoneC10H10N2O2S2254.3331.3137
100-62-9lownonenoneC7H7N105.14-1.1924
1000058-38-7nonenonenoneC11H12N2O2204.228-4.6529
1000068-25-6nonenonenoneC13H15NO4BF279.074-46.077
10000-51-8nonenonenoneC14H15NO3245.2770.10503
100018-96-0highhighnoneC20H39O2I438.428-31.232
1000171-05-0nonenonenoneC27H37O3P440.562-24.592
1000010-11-6nonenonenoneC28H44N2O2440.669-21.689
1000018-22-3nonenonenoneC16H22N3O4Br400.272-33.051
100-29-8nonenonenoneC8H9NO3167.163-8.928
10001-43-1nonenonenoneC15H18N6O2314.3484.1828
100-52-7highhighhighC7H6O106.124-4.225
10-35-5nonenonenoneC4H6O2BrF184.992-23.473
1000284-35-4nonenonehighC16H24O4280.363-11.936
10-00-4nonenonenoneC28H34O8498.57-4.8409
10003-67-5nonenonenoneC33H62O6554.849-22.973
1000339-54-7nonenonenoneC9H7O2F3204.147-11.176
1000018-44-9nonenonenoneC13H16N2O5280.279-2.3885
1000025-59-1nonenonenoneC14H11O3Cl262.691-1.449
1000-58-4highhighhighC4H8Cl4Si226.006-54.611
100004-94-2nonenonenoneC13H11NO2213.235-1.5864
10001-82-8nonenonenoneC24H26N4O5S482.5599.4242
1000018-39-2highhighlowC13H20N2O2S268.381.9315
100-34-5nonenonenoneCl.C6H5N2105.12-4.365
1000269-66-8nonenonenoneC12H20N4220.3190.5423
100004-95-3nonenonenoneC13H11NO3229.234-1.3547
1000017-94-6nonenonenoneC8H5N2O2Cl196.5932.9136
100020-83-5nonenonelowC7H11O3B153.972-20.814
100019-40-7nonenonenoneC14H15NO3245.277-1.947
1000017-92-4nonenonenoneC6H4NBr2Cl285.366-3.6
1000339-29-6nonenonenoneC14H15N2OBr307.19-5.8756