Chemical ID: 7370052

c1ccc(cc1)c2nc(cs2)CC(=O)[O-]
Chemical ID:
7370052
Name [?]:
2-(2-phenylthiazol-4-yl)acetate
SMILES [?]:
c1ccc(cc1)c2nc(cs2)CC(=O)[O-]
InChi [?]:
InChI=1/C11H9NO2S/c13-10(14)6-9-7-15-11(12-9)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,14)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,12,10,4,9,13,7,8,14,15,11/E:(2,3)(4,5)(13,14)/rA:15nCCCCCCCNCCSCCOO-/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s7s10;s9;s12;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H8NO2S-
All Atoms:23
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:-34.6876
Area:390.443
Solvation:-44.4487
Coulombic:-4.81802
Bond Count [?]
All:16
Single:10
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:218.253
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.4
LogP (Chemaxon):2.72

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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