CID 14548228
PubChem CID
14548228
Structure
Molecular Formula
Status
Non-live
Molecular Weight
365.3 g/mol
Dates
- Create:2007-02-09
Chemical Structure Depiction
2-(4-bromophenyl)-N-(1-methyl-1-azaspiro[4.5]decan-6-yl)acetamide
InChI=1S/C18H25BrN2O/c1-21-12-4-11-18(21)10-3-2-5-16(18)20-17(22)13-14-6-8-15(19)9-7-14/h6-9,16H,2-5,10-13H2,1H3,(H,20,22)
VKXIMAMXUANMDZ-UHFFFAOYSA-N
CN1CCCC12CCCCC2NC(=O)CC3=CC=C(C=C3)Br
C18H25BrN2O
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
365.3 g/mol
Property Name
XLogP3-AA
Property Value
3.5
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
364.11503 g/mol
Property Name
Monoisotopic Mass
Property Value
364.11503 g/mol
Property Name
Topological Polar Surface Area
Property Value
32.3A^2
Property Name
Heavy Atom Count
Property Value
22
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
395
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
2
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
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CONTENTS