Chemical ID: 4697227

c1ccc(cc1)c2csc(n2)c3ccc(cc3)C(=O)O
Chemical ID:
4697227
Name [?]:
4-(4-phenylthiazol-2-yl)benzoic acid
SMILES [?]:
c1ccc(cc1)c2csc(n2)c3ccc(cc3)C(=O)O
InChi [?]:
InChI=1/C16H11NO2S/c18-16(19)13-8-6-12(7-9-13)15-17-14(10-20-15)11-4-2-1-3-5-11/h1-10H,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,13,17,14,16,8,4,12,15,7,10,18,11,19,20,9/E:(2,3)(4,5)(6,7)(8,9)(18,19)/rA:20nCCCCCCCCSCNCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;s7d10;s10;s12;d13;s14;d15;d12s16;s15;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H11NO2S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.89529
Area:479.323
Solvation:-2.08778
Coulombic:-36.4141
Bond Count [?]
All:22
Single:13
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:281.33
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.01
LogP (Chemaxon):4.29

Name Annotations

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Descriptor Annotations

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