Chemical ID: 5030989

c1ccc2c(c1)C(=O)OS(=O)(=O)N2
Chemical ID:
5030989
Name [?]:
3,3-dioxo-4-oxa-3$l^{6}-thia-2-azabicyclo[4.4.0]deca-7,9,11-trien-5-one
SMILES [?]:
c1ccc2c(c1)C(=O)OS(=O)(=O)N2
InChi [?]:
InChI=1/C7H5NO4S/c9-7-5-3-1-2-4-6(5)8-13(10,11)12-7/h1-4,8H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,4,7,13,8,11,12,9,10/E:(10,11)/CRV:13.6/rA:13nCCCCCCCOOSOON/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;d10;d10;s4s10;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H5NO4S
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.08878
Area:323.955
Solvation:-2.0101
Coulombic:-26.5388
Bond Count [?]
All:14
Single:8
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:199.185
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:0.7
LogP (Chemaxon):0.52

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