Molecule

ID:68580

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀FNO
Molecular Mass
155.1695032
Exact Mass
155.07464217
Charge
0
InChI
InChI=1S/C8H10FNO/c1-11-8-4-2-3-7(9)6(8)5-10/h2-4H,5,10H2,1H3
InChIKey
JCXMQSDLDAJYMF-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1CN)F
Isomeric Smiles
NCc1c(cccc1OC)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6312261
LogD (pH = 7.4)
-0.043450013
Log P
1.0840449
Molar Refractivity
41.211
Polarizability
15.8739395
Polar Surface Area
35.25
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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