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Chemical ID: 6531617
Chemical ID:
6531617
Name [?]:
2-(2-imino-5-methyl-1,3,4-thiadiazol-3-yl)acetic acid
SMILES [?]:
Cc1nn(c(=N)s1)CC(=O)O
InChi [?]:
InChI=1/C5H7N3O2S/c1-3-7-8(2-4(9)10)5(6)11-3/h6H,2H2,1H3,(H,9,10)
InChi Info:
AuxInfo=1/1/N:1,8,2,9,5,6,3,4,10,11,7/E:(9,10)/rA:11nCCNNCNSCCOO/rB:s1;d2;s3;s4;w5;s2s5;s4;s8;d9;s9;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C5H7N3O2S |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.49859 |
Area: | 327.873 |
Solvation: | -2.69823 |
Coulombic: | -43.0212 |
Bond Count [?]
All: | 11 |
Single: | 8 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 173.194 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 0.26 |
LogP (Chemaxon): | -0.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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