Molecule

ID:95671

General Information
Structure
MolImage
Molecular Formula
C₅H₆FNO₃
Molecular Mass
147.1044432
Exact Mass
147.03317128
Charge
0
InChI
InChI=1S/C5H6FNO3/c6-2-1-3(5(9)10)7-4(2)8/h2-3H,1H2,(H,7,8)(H,9,10)/t2-,3+/m1/s1
InChIKey
NBTWBMODBIAMTC-GBXIJSLDSA-N
Canonic Smiles
OC(=O)[C@H]1NC(=O)[C@@H](C1)F
Isomeric Smiles
N1C(=O)[C@@H](C[C@H]1C(=O)O)F
Calculated Properties
JChem
Acid pKa
3.4665642
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.9662101
LogD (pH = 7.4)
-4.331713
Log P
-0.9424378
Molar Refractivity
27.8443
Polarizability
11.021425
Polar Surface Area
66.4
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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