CID 28336905
PubChem CID
28336905
Structure
Molecular Formula
Status
Non-live
Molecular Weight
286.30 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-oxobutanoate
InChI=1S/C16H17NO4/c18-14(5-6-15(19)20)12-3-4-13-11(9-12)7-8-17(13)16(21)10-1-2-10/h3-4,9-10H,1-2,5-8H2,(H,19,20)/p-1
OAQXERUWOVNETO-UHFFFAOYSA-M
C1CC1C(=O)N2CCC3=C2C=CC(=C3)C(=O)CCC(=O)[O-]
C16H16NO4-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
286.30 g/mol
Property Name
XLogP3-AA
Property Value
1.5
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
4
Property Name
Exact Mass
Property Value
286.10793299 g/mol
Property Name
Monoisotopic Mass
Property Value
286.10793299 g/mol
Property Name
Topological Polar Surface Area
Property Value
77.5 A^2
Property Name
Heavy Atom Count
Property Value
21
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
452
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
CONTENTS