Molecule

ID:113056

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈FNO
Molecular Mass
177.1750232
Exact Mass
177.0589921
Charge
0
InChI
InChI=1S/C10H8FNO/c1-13-9-2-3-10-7(5-9)4-8(11)6-12-10/h2-6H,1H3
InChIKey
LEJRFUDTXRWNFQ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)cc(cn2)F
Isomeric Smiles
n1c2c(cc(c1)F)cc(cc2)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1158006
LogD (pH = 7.4)
2.1159296
Log P
2.115931
Molar Refractivity
46.6589
Polarizability
19.103706
Polar Surface Area
22.12
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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