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Chemical ID: 4651044
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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