Molecule

ID:38204

General Information
Structure
MolImage
Molecular Formula
C₆H₆FNO
Molecular Mass
127.1163432
Exact Mass
127.04334204
Charge
0
InChI
InChI=1S/C6H6FNO/c1-9-6-5(7)3-2-4-8-6/h2-4H,1H3
InChIKey
VOXFISDIRIAWCW-UHFFFAOYSA-N
Canonic Smiles
COc1ncccc1F
Isomeric Smiles
c1(c(cccn1)F)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3350545
LogD (pH = 7.4)
1.3350616
Log P
1.3350616
Molar Refractivity
30.8942
Polarizability
11.675107
Polar Surface Area
22.12
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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