CID 40803139
PubChem CID
40803139
Structure
Molecular Formula
Status
Non-live
Molecular Weight
183.20 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
[3-(4-fluoroanilino)-3-oxopropyl]azanium
InChI=1S/C9H11FN2O/c10-7-1-3-8(4-2-7)12-9(13)5-6-11/h1-4H,5-6,11H2,(H,12,13)/p+1
FQNWWWPTOXJNJM-UHFFFAOYSA-O
C1=CC(=CC=C1NC(=O)CC[NH3+])F
C9H12FN2O+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
183.20 g/mol
Property Name
XLogP3
Property Value
1
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
183.09336617 g/mol
Property Name
Monoisotopic Mass
Property Value
183.09336617 g/mol
Property Name
Topological Polar Surface Area
Property Value
56.7 A^2
Property Name
Heavy Atom Count
Property Value
13
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
167
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
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CONTENTS