CID 25520060
PubChem CID
25520060
Structure
Molecular Formula
Status
Non-live
Molecular Weight
310.4 g/mol
Dates
- Create:2009-05-27
Chemical Structure Depiction
N-[(2S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-methyl-1H-indole-3-carboxamide
InChI=1S/C20H26N2O/c1-13-19(17-8-4-5-9-18(17)21-13)20(23)22-16-11-10-14-6-2-3-7-15(14)12-16/h4-5,8-9,14-16,21H,2-3,6-7,10-12H2,1H3,(H,22,23)/t14-,15-,16+/m1/s1
MQXWGACCOFICEH-OAGGEKHMSA-N
CC1=C(C2=CC=CC=C2N1)C(=O)N[C@H]3CC[C@H]4CCCC[C@@H]4C3
C20H26N2O
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
310.4 g/mol
Property Name
XLogP3-AA
Property Value
5.1
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
310.204513457 g/mol
Property Name
Monoisotopic Mass
Property Value
310.204513457 g/mol
Property Name
Topological Polar Surface Area
Property Value
44.9 A^2
Property Name
Heavy Atom Count
Property Value
23
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
437
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
3
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
Old substance
CONTENTS