CID 45439600
PubChem CID
45439600
Structure
Molecular Formula
Status
Non-live
Molecular Weight
365.4 g/mol
Dates
- Create:2010-05-24
Chemical Structure Depiction
5-(1-adamantylmethylsulfamoyl)-2-hydroxybenzoic acid
InChI=1S/C18H23NO5S/c20-16-2-1-14(6-15(16)17(21)22)25(23,24)19-10-18-7-11-3-12(8-18)5-13(4-11)9-18/h1-2,6,11-13,19-20H,3-5,7-10H2,(H,21,22)
IVBFMWAKJHQAOR-UHFFFAOYSA-N
C1C2CC3CC1CC(C2)(C3)CNS(=O)(=O)C4=CC(=C(C=C4)O)C(=O)O
C18H23NO5S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
365.4 g/mol
Property Name
XLogP3-AA
Property Value
3.5
Property Name
Hydrogen Bond Donor Count
Property Value
3
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
365.12969401 g/mol
Property Name
Monoisotopic Mass
Property Value
365.12969401 g/mol
Property Name
Topological Polar Surface Area
Property Value
112 A^2
Property Name
Heavy Atom Count
Property Value
25
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
599
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
Old substance
Old substance
CONTENTS