CID 27323016
PubChem CID
27323016
Structure
Molecular Formula
Status
Non-live
Molecular Weight
210.72 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
[1-[(4-chlorophenyl)methyl]cyclopentyl]azanium
InChI=1S/C12H16ClN/c13-11-5-3-10(4-6-11)9-12(14)7-1-2-8-12/h3-6H,1-2,7-9,14H2/p+1
KNSBCMDGUHKQDD-UHFFFAOYSA-O
C1CCC(C1)(CC2=CC=C(C=C2)Cl)[NH3+]
C12H17ClN+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
210.72 g/mol
Property Name
XLogP3-AA
Property Value
3
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
0
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
210.1049522 g/mol
Property Name
Monoisotopic Mass
Property Value
210.1049522 g/mol
Property Name
Topological Polar Surface Area
Property Value
27.6 A^2
Property Name
Heavy Atom Count
Property Value
14
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
179
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
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
CONTENTS