Molecule

ID:42822

General Information
Structure
MolImage
Molecular Formula
C₈H₈FNO₂
Molecular Mass
169.1530232
Exact Mass
169.05390672
Charge
0
InChI
InChI=1S/C8H8FNO2/c1-12-8(11)6-4-5(10)2-3-7(6)9/h2-4H,10H2,1H3
InChIKey
ILVPFTMKCHREDJ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(N)ccc1F
Isomeric Smiles
c1(C(=O)OC)c(ccc(c1)N)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2900733
LogD (pH = 7.4)
1.2904934
Log P
1.2904987
Molar Refractivity
43.0001
Polarizability
15.632508
Polar Surface Area
52.32
Rotatable Bonds
2
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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