Chemical ID: 4732166

c1cc(ccc1c2ccsc2)C(=O)O
Chemical ID:
4732166
Name [?]:
4-(3-thienyl)benzoic acid
SMILES [?]:
c1cc(ccc1c2ccsc2)C(=O)O
InChi [?]:
InChI=1/C11H8O2S/c12-11(13)9-3-1-8(2-4-9)10-5-6-14-7-10/h1-7H,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,8,9,11,6,3,7,12,13,14,10/E:(1,2)(3,4)(12,13)/rA:14nCCCCCCCCCSCCOO/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d7s10;s3;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H8O2S
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.52596
Area:372.983
Solvation:-1.79862
Coulombic:-29.7296
Bond Count [?]
All:15
Single:9
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:204.246
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.93
LogP (Chemaxon):2.92

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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