Molecule

ID:94273

General Information
Structure
MolImage
Molecular Formula
C₈H₈FNO₂
Molecular Mass
169.1530232
Exact Mass
169.05390672
Charge
0
InChI
InChI=1S/C8H8FNO2/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)/t7-/m1/s1
InChIKey
JKFYKCYQEWQPTM-SSDOTTSWSA-N
Canonic Smiles
N[C@H](c1ccc(cc1)F)C(=O)O
Isomeric Smiles
Fc1ccc(cc1)[C@H](C(=O)O)N
Calculated Properties
JChem
Acid pKa
1.5611964
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.3307201
LogD (pH = 7.4)
-1.3469683
Log P
-1.3306649
Molar Refractivity
40.5777
Polarizability
15.7752905
Polar Surface Area
63.32
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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