Chemical ID: 4651044

c1cc(=O)[nH]nc1C(=O)N2CCOCC2
Chemical ID:
4651044
Name [?]:
6-morpholinocarbonyl-2H-pyridazin-3-one
SMILES [?]:
c1cc(=O)[nH]nc1C(=O)N2CCOCC2
InChi [?]:
InChI=1/C9H11N3O3/c13-8-2-1-7(10-11-8)9(14)12-3-5-15-6-4-12/h1-2H,3-6H2,(H,11,13)
InChi Info:
AuxInfo=1/1/N:1,2,11,15,12,14,7,3,8,6,5,10,4,9,13/E:(3,4)(5,6)/rA:15nCCCONNCCONCCOCC/rB:d1;s2;d3;s3;s5;s1d6;s7;d8;s8;s10;s11;s12;s13;s10s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H11N3O3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:5.45969
Area:363.258
Solvation:-3.62177
Coulombic:-44.9982
Bond Count [?]
All:16
Single:12
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:209.202
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:-0.63
LogP (Chemaxon):-0.94

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Descriptor Annotations

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