Chemical ID: 3968485

c1ccc2c(c1)C(=O)NS2(=O)=O
Chemical ID:
3968485
Name [?]:
9,9-dioxo-9$l^{6}-thia-8-azabicyclo[4.3.0]nona-2,4,10-trien-7-one
SMILES [?]:
c1ccc2c(c1)C(=O)NS2(=O)=O
InChi [?]:
InChI=1/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,7,9,8,11,12,10/E:(10,11)/CRV:12.6/rA:12nCCCCCCCONSOO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4s9;d10;d10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H5NO3S
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.65332
Area:311.651
Solvation:-2.13795
Coulombic:-21.0421
Bond Count [?]
All:13
Single:7
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:183.186
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.45
LogP (Chemaxon):0.36

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