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Chemical ID: 4728456
Chemical ID:
4728456
Name [?]:
2-guanidinoethanesulfonic acid
SMILES [?]:
C(CS(=O)(=O)O)NC(=N)N
InChi [?]:
InChI=1/C3H9N3O3S/c4-3(5)6-1-2-10(7,8)9/h1-2H2,(H4,4,5,6)(H,7,8,9)
InChi Info:
AuxInfo=1/1/N:1,2,8,9,10,7,4,5,6,3/E:(4,5)(7,8,9)/CRV:10.6/rA:10nCCSOOONCNN/rB:s1;s2;d3;d3;s3;s1;s7;w8;s8;/rC:;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C3H9N3O3S |
All Atoms: | 10 |
Heavy Atoms: | 10 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.07316 |
Area: | 322.712 |
Solvation: | -2.99464 |
Coulombic: | -52.1342 |
Bond Count [?]
All: | 9 |
Single: | 6 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 167.188 |
H-Bond Donors: | 5 |
H-Bond Acceptors: | 6 |
XLogP: | -1.36 |
LogP (Chemaxon): | -2.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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