Chemical ID: 5261415

c1ccc2c(c1)c3c(o2)c(=O)c(cs3)C(=O)O
Chemical ID:
5261415
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c(o2)c(=O)c(cs3)C(=O)O
InChi [?]:
InChI=1/C12H6O4S/c13-9-7(12(14)15)5-17-11-6-3-1-2-4-8(6)16-10(9)11/h1-5H,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,13,5,12,4,10,8,7,15,11,16,17,9,14/E:(14,15)/rA:17nCCCCCCCCOCOCCSCOO/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;d10;s10;d12;s7s13;s12;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H6O4S
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:5.98025
Area:393.222
Solvation:-3.8503
Coulombic:-42.7436
Bond Count [?]
All:19
Single:12
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:246.24
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.92
LogP (Chemaxon):3.12

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Descriptor Annotations

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