Chemical ID: 3852270

c1[nH]c(=O)c2c(n1)c(sn2)C(=O)O
Chemical ID:
3852270
Name [?]:
2-oxo-8-thia-3,5,9-triazabicyclo[4.3.0]nona-4,6,9-triene-7-carboxylic acid
SMILES [?]:
c1[nH]c(=O)c2c(n1)c(sn2)C(=O)O
InChi [?]:
InChI=1/C6H3N3O3S/c10-5-3-2(7-1-8-5)4(6(11)12)13-9-3/h1H,(H,11,12)(H,7,8,10)
InChi Info:
AuxInfo=1/1/N:1,6,5,8,3,11,7,2,10,4,12,13,9/E:(11,12)/rA:13nCNCOCCNCSNCOO/rB:s1;s2;d3;s3;s5;d1s6;d6;s8;d5s9;s8;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H3N3O3S
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:5.26111
Area:332.817
Solvation:-3.05932
Coulombic:-55.0411
Bond Count [?]
All:14
Single:9
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:197.172
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:-0.88
LogP (Chemaxon):-1.06

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