Chemical ID: 7196973

Cc1c(cn(n1)C)c2cc(no2)C(=O)[O-]
Chemical ID:
7196973
Name [?]:
5-(1,3-dimethylpyrazol-4-yl)isoxazole-3-carboxylate
SMILES [?]:
Cc1c(cn(n1)C)c2cc(no2)C(=O)[O-]
InChi [?]:
InChI=1/C9H9N3O3/c1-5-6(4-12(2)10-5)8-3-7(9(13)14)11-15-8/h3-4H,1-2H3,(H,13,14)/p-1
InChi Info:
AuxInfo=1/1/N:1,7,9,4,2,3,10,8,13,6,11,5,14,15,12/E:(13,14)/rA:15nCCCCNNCCCCNOCOO-/rB:s1;s2;d3;s4;d2s5;s5;s3;d8;s9;d10;s8s11;s10;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H8N3O3-
All Atoms:23
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:-33.9721
Area:380.642
Solvation:-43.4881
Coulombic:-10.2896
Bond Count [?]
All:16
Single:11
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:206.178
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.39
LogP (Chemaxon):0.2

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Descriptor Annotations

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