Molecule

ID:100809

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀FNO
Molecular Mass
179.1909032
Exact Mass
179.07464217
Charge
0
InChI
InChI=1S/C10H10FNO/c11-8-3-5-9(6-4-8)12-7-1-2-10(12)13/h3-6H,1-2,7H2
InChIKey
SZZJBOHBVUOQFP-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)N1CCCC1=O
Isomeric Smiles
N1(c2ccc(cc2)F)CCCC1=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.4447272
LogD (pH = 7.4)
1.4447272
Log P
1.4447272
Molar Refractivity
47.1486
Polarizability
17.841255
Polar Surface Area
20.31
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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