CID 22361780
PubChem CID
22361780
Structure
Molecular Formula
Status
Non-live
Molecular Weight
204.23 g/mol
Dates
- Create:2007-12-05
Chemical Structure Depiction
2-phenyl-1,3-thiazole-5-carboxylate
InChI=1S/C10H7NO2S/c12-10(13)8-6-11-9(14-8)7-4-2-1-3-5-7/h1-6H,(H,12,13)/p-1
LCALUFNLWHYTKX-UHFFFAOYSA-M
C1=CC=C(C=C1)C2=NC=C(S2)C(=O)[O-]
C10H6NO2S-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
204.23 g/mol
Property Name
XLogP3-AA
Property Value
3.1
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
1
Property Name
Exact Mass
Property Value
204.01192461 g/mol
Property Name
Monoisotopic Mass
Property Value
204.01192461 g/mol
Property Name
Topological Polar Surface Area
Property Value
81.3 A^2
Property Name
Heavy Atom Count
Property Value
14
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
211
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
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CONTENTS