Chemical ID: 5115395

COc1cc2cc(sc2cc1OC)C(=O)O
Chemical ID:
5115395
Name [?]:
5,6-dimethoxybenzothiophene-2-carboxylic acid
SMILES [?]:
COc1cc2cc(sc2cc1OC)C(=O)O
InChi [?]:
InChI=1/C11H10O4S/c1-14-7-3-6-4-10(11(12)13)16-9(6)5-8(7)15-2/h3-5H,1-2H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,13,4,6,10,5,3,11,9,7,14,15,16,2,12,8/E:(12,13)/rA:16nCOCCCCCSCCCOCCOO/rB:s1;s2;s3;d4;s5;d6;s7;s5s8;d9;d3s10;s11;s12;s7;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10O4S
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:5.06988
Area:402.815
Solvation:-5.00049
Coulombic:-41.4333
Bond Count [?]
All:17
Single:12
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:238.261
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.56
LogP (Chemaxon):1.85

Name Annotations

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Descriptor Annotations

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