Molecule

ID:115387

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄FNO₂
Molecular Mass
271.2862632
Exact Mass
271.10085691
Charge
0
InChI
InChI=1S/C16H14FNO2/c17-14-6-2-1-4-11(14)10-18-9-8-12-13(16(18)20)5-3-7-15(12)19/h1-7,19H,8-10H2
InChIKey
DADMKYNCRLYDNY-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1CN1CCc2c(C1=O)cccc2O
Isomeric Smiles
C1(=O)N(Cc2c(F)cccc2)CCc2c1cccc2O
Calculated Properties
JChem
Acid pKa
8.646505
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.8744285
LogD (pH = 7.4)
2.8509533
Log P
2.8747365
Molar Refractivity
75.0493
Polarizability
27.81581
Polar Surface Area
40.54
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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