Chemical ID: 7244543

c1ccc2c(c1)nc(s2)c3ccc(o3)C=CC(=O)O
Chemical ID:
7244543
Name [?]:
3-(5-benzothiazol-2-yl-2-furyl)prop-2-enoic acid
SMILES [?]:
c1ccc2c(c1)nc(s2)c3ccc(o3)C=CC(=O)O
InChi [?]:
InChI=1/C14H9NO3S/c16-13(17)8-6-9-5-7-11(18-9)14-15-10-3-1-2-4-12(10)19-14/h1-8H,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,12,15,11,16,13,5,10,4,17,8,7,18,19,14,9/E:(16,17)/rA:19nCCCCCCNCSCCCCOCCCOO/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;d10;s11;d12;s10s13;s13;w15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H9NO3S
All Atoms:28
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.81892
Area:467.47
Solvation:-2.86784
Coulombic:-41.8109
Bond Count [?]
All:21
Single:13
Double:8
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:271.292
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.07
LogP (Chemaxon):3.28

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