Chemical ID: 7094717

Cc1c(cn(n1)C)c2cc(no2)C(=O)O
Chemical ID:
7094717
Name [?]:
5-(1,3-dimethylpyrazol-4-yl)isoxazole-3-carboxylic acid
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)
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:C9H9N3O3
All Atoms:24
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:5.92247
Area:382.711
Solvation:-3.64531
Coulombic:-34.1317
Bond Count [?]
All:16
Single:11
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:207.186
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:0.87
LogP (Chemaxon):0.2

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Descriptor Annotations

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