Molecule

ID:69274

General Information
Structure
MolImage
Molecular Formula
C₇H₆FNO₂
Molecular Mass
155.1264432
Exact Mass
155.03825666
Charge
0
InChI
InChI=1S/C7H6FNO2/c1-11-7(10)5-2-3-6(8)9-4-5/h2-4H,1H3
InChIKey
HLYBWNNPVXFCPZ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(nc1)F
Isomeric Smiles
c1c(ccc(n1)F)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2956829
LogD (pH = 7.4)
1.2956829
Log P
1.2956829
Molar Refractivity
37.1575
Polarizability
13.6369295
Polar Surface Area
39.19
Rotatable Bonds
2
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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