CID 18834113
PubChem CID
18834113
Structure
Preferred Compound
Molecular Formula
Status
Non-live
Molecular Weight
372.8 g/mol
Dates
- Create:2007-12-04
Chemical Structure Depiction
(3Z)-5-chloro-3-hydroxyimino-1-[[2-(3-methylbutoxy)phenyl]methyl]indol-2-one
InChI=1S/C20H21ClN2O3/c1-13(2)9-10-26-18-6-4-3-5-14(18)12-23-17-8-7-15(21)11-16(17)19(22-25)20(23)24/h3-8,11,13,25H,9-10,12H2,1-2H3/b22-19-
WWXMBYDBPOWRCL-QOCHGBHMSA-N
CC(C)CCOC1=CC=CC=C1CN2C3=C(C=C(C=C3)Cl)/C(=N/O)/C2=O
C20H21ClN2O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
372.8 g/mol
Property Name
XLogP3-AA
Property Value
5.5
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
372.1240702 g/mol
Property Name
Monoisotopic Mass
Property Value
372.1240702 g/mol
Property Name
Topological Polar Surface Area
Property Value
62.1 A^2
Property Name
Heavy Atom Count
Property Value
26
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
525
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
CONTENTS