Chemical ID: 4732094

Cc1ccc2c(c1)cc(s2)C(=O)O
Chemical ID:
4732094
Name [?]:
5-methylbenzothiophene-2-carboxylic acid
SMILES [?]:
Cc1ccc2c(c1)cc(s2)C(=O)O
InChi [?]:
InChI=1/C10H8O2S/c1-6-2-3-8-7(4-6)5-9(13-8)10(11)12/h2-5H,1H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,3,4,7,8,2,6,5,9,11,12,13,10/E:(11,12)/rA:13nCCCCCCCCCSCOO/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s5s9;s9;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H8O2S
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.21997
Area:349.903
Solvation:-1.5276
Coulombic:-29.2475
Bond Count [?]
All:14
Single:9
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:192.235
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.44
LogP (Chemaxon):2.82

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Descriptor Annotations

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