Chemical ID: 6548071

Cc1n[n+](c(s1)N)CC(=O)[O-]
Chemical ID:
6548071
Name [?]:
2-(2-amino-5-methyl-1-thia-4-aza-3-azoniacyclopenta-2,4-dien-3-yl)acetate
SMILES [?]:
Cc1n[n+](c(s1)N)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=1/5/N:1,8,2,9,5,7,3,4,10,11,6/E:(9,10)/rA:11nCCNN+CSNCCOO-/rB:s1;d2;s3;d4;s2s5;s5;s4;s8;d9;s9;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H7N3O2S
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:-18.3019
Area:325.013
Solvation:-26.4272
Coulombic:-42.7141
Bond Count [?]
All:11
Single:8
Double:3
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:173.194
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:-1.08
LogP (Chemaxon):-3.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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