Molecule

ID:44039

General Information
Structure
MolImage
Molecular Formula
C₇H₈FNO
Molecular Mass
141.1429232
Exact Mass
141.0589921
Charge
0
InChI
InChI=1S/C7H8FNO/c8-7-2-1-6(9)3-5(7)4-10/h1-3,10H,4,9H2
InChIKey
NBVPTQRFNRBXGB-UHFFFAOYSA-N
Canonic Smiles
OCc1cc(N)ccc1F
Isomeric Smiles
c1(c(ccc(c1)N)F)CO
Calculated Properties
JChem
Acid pKa
14.652064
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.51442415
LogD (pH = 7.4)
0.5196055
Log P
0.51967204
Molar Refractivity
37.7907
Polarizability
13.618921
Polar Surface Area
46.25
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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