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Chemical ID: 6933520
Chemical ID:
6933520
Name [?]:
N-(1,2,4-triazol-4-yl)methanesulfonamide
SMILES [?]:
CS(=O)(=O)Nn1cnnc1
InChi [?]:
InChI=1/C3H6N4O2S/c1-10(8,9)6-7-2-4-5-3-7/h2-3,6H,1H3
InChi Info:
AuxInfo=1/0/N:1,7,10,8,9,5,6,3,4,2/E:(2,3)(4,5)(8,9)/CRV:10.6/rA:10nCSOONNCNNC/rB:s1;d2;d2;s2;s5;s6;d7;s8;s6d9;/rC:;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C3H6N4O2S |
All Atoms: | 16 |
Heavy Atoms: | 10 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.01239 |
Area: | 293.359 |
Solvation: | -3.32159 |
Coulombic: | -12.1452 |
Bond Count [?]
All: | 10 |
Single: | 6 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 162.171 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 0.38 |
LogP (Chemaxon): | -2.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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