Molecule

ID:51540

General Information
Structure
MolImage
Molecular Formula
C₈H₈FNO
Molecular Mass
153.1536232
Exact Mass
153.0589921
Charge
0
InChI
InChI=1S/C8H8FNO/c9-7-4-6-2-1-3-11-8(6)10-5-7/h4-5H,1-3H2
InChIKey
MCXSFGHZAJNSIA-UHFFFAOYSA-N
Canonic Smiles
Fc1cc2CCCOc2nc1
Isomeric Smiles
c1(cnc2c(c1)CCCO2)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8195127
LogD (pH = 7.4)
1.8195187
Log P
1.8195188
Molar Refractivity
38.8048
Polarizability
14.5409355
Polar Surface Area
22.12
Rotatable Bonds
0
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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