CID 60758182
PubChem CID
60758182
Structure
Molecular Formula
Status
Non-live
Molecular Weight
257.37 g/mol
Dates
- Create:2012-10-18
Chemical Structure Depiction
(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-phenylmethanone
InChI=1S/C17H23NO/c1-13-11-12-18(16-10-6-5-9-15(13)16)17(19)14-7-3-2-4-8-14/h2-4,7-8,13,15-16H,5-6,9-12H2,1H3
OOAOWZCCOZKMOO-UHFFFAOYSA-N
CC1CCN(C2C1CCCC2)C(=O)C3=CC=CC=C3
C17H23NO
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
257.37 g/mol
Property Name
XLogP3-AA
Property Value
4
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Property Name
Rotatable Bond Count
Property Value
1
Property Name
Exact Mass
Property Value
257.177964357 g/mol
Property Name
Monoisotopic Mass
Property Value
257.177964357 g/mol
Property Name
Topological Polar Surface Area
Property Value
20.3 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
321
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
3
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