Chemical ID: 4727388

Cc1c(c(on1)c2c(nns2)C)C(=O)O
Chemical ID:
4727388
Name [?]:
3-methyl-5-(4-methylthiadiazol-5-yl)-isoxazole-4-carboxylic acid
SMILES [?]:
Cc1c(c(on1)c2c(nns2)C)C(=O)O
InChi [?]:
InChI=1/C8H7N3O3S/c1-3-5(8(12)13)6(14-10-3)7-4(2)9-11-15-7/h1-2H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,12,2,8,3,4,7,13,9,6,10,14,15,5,11/E:(12,13)/rA:15nCCCCONCCNNSCCOO/rB:s1;s2;d3;s4;d2s5;s4;d7;s8;d9;s7s10;s8;s3;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H7N3O3S
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.50552
Area:371.814
Solvation:-2.78983
Coulombic:-30.2539
Bond Count [?]
All:16
Single:11
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:225.226
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.97
LogP (Chemaxon):-0.4

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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