CID 45271952
PubChem CID
45271952
Structure
Preferred Compound
Molecular Formula
Status
Non-live
Molecular Weight
312.32 g/mol
Dates
- Create:2010-05-07
Chemical Structure Depiction
(3Z)-1-[(3,5-dimethoxyphenyl)methyl]-3-hydroxyiminoindol-2-one
InChI=1S/C17H16N2O4/c1-22-12-7-11(8-13(9-12)23-2)10-19-15-6-4-3-5-14(15)16(18-21)17(19)20/h3-9,21H,10H2,1-2H3/b18-16-
KCFKNXOWAGJBHI-VLGSPTGOSA-N
COC1=CC(=CC(=C1)CN2C3=CC=CC=C3/C(=N/O)/C2=O)OC
C17H16N2O4
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
312.32 g/mol
Property Name
XLogP3-AA
Property Value
3.1
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
312.11100700 g/mol
Property Name
Monoisotopic Mass
Property Value
312.11100700 g/mol
Property Name
Topological Polar Surface Area
Property Value
71.4 A^2
Property Name
Heavy Atom Count
Property Value
23
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
456
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
1
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
Old substance
Old substance
Old substance
Old substance
Old substance
Old substance
CONTENTS