CID 45397578
PubChem CID
45397578
Structure
Molecular Formula
Status
Non-live
Molecular Weight
437.4 g/mol
Dates
- Create:2010-05-24
Chemical Structure Depiction
4-[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethoxy]-3-methoxybenzoic acid
InChI=1S/C24H23NO7/c1-3-30-18-9-11-20(12-10-18)32-19-7-5-17(6-8-19)25-23(26)15-31-21-13-4-16(24(27)28)14-22(21)29-2/h4-14H,3,15H2,1-2H3,(H,25,26)(H,27,28)
UNOBIUBCQDZHQE-UHFFFAOYSA-N
CCOC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)COC3=C(C=C(C=C3)C(=O)O)OC
C24H23NO7
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
437.4 g/mol
Property Name
XLogP3-AA
Property Value
4.2
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
7
Property Name
Rotatable Bond Count
Property Value
10
Property Name
Exact Mass
Property Value
437.14745207 g/mol
Property Name
Monoisotopic Mass
Property Value
437.14745207 g/mol
Property Name
Topological Polar Surface Area
Property Value
103 A^2
Property Name
Heavy Atom Count
Property Value
32
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
585
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