Chemical ID: 6636787

c1ccc(cc1)C=Cc2[n+](c3ccccc3s2)CC(=O)O
Chemical ID:
6636787
Name [?]:
2-(2-styrylbenzothiazol-3-yl)acetic acid
SMILES [?]:
c1ccc(cc1)C=Cc2[n+](c3ccccc3s2)CC(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H14NO2S+
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:-16.0747
Area:462.518
Solvation:-27.6376
Coulombic:-10.7781
Bond Count [?]
All:23
Single:14
Double:9
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:296.365
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.12
LogP (Chemaxon):0.57

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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