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MOLI001112 - Compound Summary (CID 450594)


Depositor-Supplied Synonyms:
MOLI001112


Properties Computed from Structure:
Molecular Weight132.123458 [g/mol]
Molecular FormulaC5H8FNO2
XLogP3-AA-2.3
H-Bond Donor2
H-Bond Acceptor4
Rotatable Bond Count1
Exact Mass132.056441
MonoIsotopic Mass132.056441
Topological Polar Surface Area49.3
Heavy Atom Count9
Formal Charge0
Complexity128
Isotope Atom Count1
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count2
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1


Descriptors Computed from Structure:
IUPAC Name: 4-fluoranylpyrrolidine-2-carboxylic acid
Canonical SMILES: C1C(CNC1C(=O)O)F
Isomeric SMILES: C1C(CNC1C(=O)O)[18F]
InChI: InChI=1S/C5H8FNO2/c6-3-1-4(5(8)9)7-2-3/h3-4,7H,1-2H2,(H,8,9)/i6-1
InChIKey: ZIWHMENIDGOELV-KWCOIAHCSA-N


Compound Information:
CID 450594   
Create Date: 2005-03-27

Related Compounds:
Same, Connectivity: 11 Links
Same, Stereochemistry: 2 Links
Same, Isotopes: 3 Links

Similar Compounds: 83 Links
Similar Conformers: 842 Links    View Conformers


Substance Information:
Substance: 1 Link

Category: [for same structure substances]
Imaging Agents: 1 Link
   MOLI ( 1 )
SID 1062 - External ID: MOLI001112
     

2D

3D
Compound ID450594
Molecular Weight132.123458 [g/mol]
Molecular FormulaC5H8FNO2
XLogP3-AA-2.3
H-Bond Donor2
H-Bond Acceptor4


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