Molecule

ID:43669

General Information
Structure
MolImage
Molecular Formula
C₇H₈FNO
Molecular Mass
141.1429232
Exact Mass
141.0589921
Charge
0
InChI
InChI=1S/C7H8FNO/c8-6-3-5(4-10)1-2-7(6)9/h1-3,10H,4,9H2
InChIKey
VADDSNYDZBXHNQ-UHFFFAOYSA-N
Canonic Smiles
OCc1ccc(c(c1)F)N
Isomeric Smiles
c1(c(ccc(c1)CO)N)F
Calculated Properties
JChem
Acid pKa
14.996264
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.519394
LogD (pH = 7.4)
0.5196685
Log P
0.51967204
Molar Refractivity
37.7907
Polarizability
13.6203
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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