CID 63967813
PubChem CID
63967813
Structure
Molecular Formula
Status
Non-live
Molecular Weight
266.18 g/mol
Dates
- Create:2012-10-23
Chemical Structure Depiction
(3Z)-3-(6-bromo-3,4-dihydro-1H-naphthalen-2-ylidene)propan-1-amine
InChI=1S/C13H16BrN/c14-13-6-5-11-8-10(2-1-7-15)3-4-12(11)9-13/h2,5-6,9H,1,3-4,7-8,15H2/b10-2-
QUUFQIBNBJOVBH-SGAXSIHGSA-N
C\1CC2=C(C/C1=C\CCN)C=CC(=C2)Br
C13H16BrN
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
266.18 g/mol
Property Name
XLogP3-AA
Property Value
2.8
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
2
Property Name
Exact Mass
Property Value
265.04661 g/mol
Property Name
Monoisotopic Mass
Property Value
265.04661 g/mol
Property Name
Topological Polar Surface Area
Property Value
26 A^2
Property Name
Heavy Atom Count
Property Value
15
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
237
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
CONTENTS