Chemical ID: 7247852

c1ccc(cc1)Oc2cccc(c2)c3nc(cs3)CC(=O)O
Chemical ID:
7247852
Name [?]:
2-[2-(3-phenoxyphenyl)thiazol-4-yl]acetic acid
SMILES [?]:
c1ccc(cc1)Oc2cccc(c2)c3nc(cs3)CC(=O)O
InChi [?]:
InChI=1/C17H13NO3S/c19-16(20)10-13-11-22-17(18-13)12-5-4-8-15(9-12)21-14-6-2-1-3-7-14/h1-9,11H,10H2,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,10,11,3,5,9,13,19,17,12,16,4,8,20,14,15,21,22,7,18/E:(2,3)(6,7)(19,20)/rA:22nCCCCCCOCCCCCCCNCCSCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s12;d14;s15;d16;s14s17;s16;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13NO3S
All Atoms:35
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.0361
Area:510.198
Solvation:-3.71885
Coulombic:-39.9605
Bond Count [?]
All:24
Single:15
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:311.356
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.36
LogP (Chemaxon):3.97

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Descriptor Annotations

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