Chemical ID: 7432579

Cn1cc(c(n1)C(=O)O)c2ccno2
Chemical ID:
7432579
Name [?]:
4-isoxazol-5-yl-1-methyl-pyrazole-3-carboxylic acid
SMILES [?]:
Cn1cc(c(n1)C(=O)O)c2ccno2
InChi [?]:
InChI=1/C8H7N3O3/c1-11-4-5(6-2-3-9-14-6)7(10-11)8(12)13/h2-4H,1H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,11,12,3,4,10,5,7,13,6,2,8,9,14/E:(12,13)/rA:14nCNCCCNCOOCCCNO/rB:s1;s2;d3;s4;s2d5;s5;d7;s7;s4;d10;s11;d12;s10s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H7N3O3
All Atoms:21
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:4.53004
Area:349.463
Solvation:-4.20653
Coulombic:-33.3665
Bond Count [?]
All:15
Single:10
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:193.16
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:0.72
LogP (Chemaxon):0.19

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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