Chemical ID: 4703403

c1cc(ccc1c2nc(cs2)c3ccc(cc3)Cl)C(=O)O
Chemical ID:
4703403
Name [?]:
4-[4-(4-chlorophenyl)thiazol-2-yl]benzoic acid
SMILES [?]:
c1cc(ccc1c2nc(cs2)c3ccc(cc3)Cl)C(=O)O
InChi [?]:
InChI=1/C16H10ClNO2S/c17-13-7-5-10(6-8-13)14-9-21-15(18-14)11-1-3-12(4-2-11)16(19)20/h1-9H,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,13,17,14,16,10,12,6,3,15,9,7,19,18,8,20,21,11/E:(1,2)(3,4)(5,6)(7,8)(19,20)/rA:21nCCCCCCCNCCSCCCCCCClCOO/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;d9;s7s10;s9;s12;d13;s14;d15;d12s16;s15;s3;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H10ClNO2S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.7862
Area:515.792
Solvation:-2.10864
Coulombic:-36.4348
Bond Count [?]
All:23
Single:14
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:315.775
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.63
LogP (Chemaxon):4.81

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Descriptor Annotations

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