Chemical ID: 4703404

c1cc(ccc1c2nc(cs2)c3ccc(c(c3)Cl)Cl)C(=O)O
Chemical ID:
4703404
Name [?]:
4-[4-(3,4-dichlorophenyl)thiazol-2-yl]benzoic acid
SMILES [?]:
c1cc(ccc1c2nc(cs2)c3ccc(c(c3)Cl)Cl)C(=O)O
InChi [?]:
InChI=1/C16H9Cl2NO2S/c17-12-6-5-11(7-13(12)18)14-8-22-15(19-14)9-1-3-10(4-2-9)16(20)21/h1-8H,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,13,14,17,10,6,3,12,15,16,9,7,20,19,18,8,21,22,11/E:(1,2)(3,4)(20,21)/rA:22nCCCCCCCNCCSCCCCCCClClCOO/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;d9;s7s10;s9;s12;d13;s14;d15;d12s16;s16;s15;s3;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H9Cl2NO2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:11.402
Area:543.8
Solvation:-2.19305
Coulombic:-36.4075
Bond Count [?]
All:24
Single:15
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:350.22
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.25
LogP (Chemaxon):5.33

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Descriptor Annotations

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