CID 40621860
PubChem CID
40621860
Structure
Molecular Formula
Status
Non-live
Molecular Weight
322.9 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
[(1S)-1-(1-adamantyl)ethyl]-[(2-chloro-6-fluorophenyl)methyl]azanium
InChI=1S/C19H25ClFN/c1-12(22-11-16-17(20)3-2-4-18(16)21)19-8-13-5-14(9-19)7-15(6-13)10-19/h2-4,12-15,22H,5-11H2,1H3/p+1/t12-,13?,14?,15?,19?/m0/s1
HEPVBKYEIXVPKE-UHSVVUDUSA-O
C[C@@H](C12CC3CC(C1)CC(C3)C2)[NH2+]CC4=C(C=CC=C4Cl)F
C19H26ClFN+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
322.9 g/mol
Property Name
XLogP3-AA
Property Value
5.4
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
322.1737807 g/mol
Property Name
Monoisotopic Mass
Property Value
322.1737807 g/mol
Property Name
Topological Polar Surface Area
Property Value
16.6 A^2
Property Name
Heavy Atom Count
Property Value
22
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
371
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
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
CONTENTS