Molecule

ID:100753

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄FNO₂
Molecular Mass
211.2327632
Exact Mass
211.10085691
Charge
0
InChI
InChI=1S/C11H14FNO2/c1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9/h4-7H,1-3H3,(H,13,14)
InChIKey
OJVWNENFSPSLRB-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccc(cc1)F)OC(C)(C)C
Isomeric Smiles
N(c1ccc(cc1)F)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
13.14758
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.0269089
LogD (pH = 7.4)
3.0269082
Log P
3.0269089
Molar Refractivity
56.5666
Polarizability
21.115646
Polar Surface Area
38.33
Rotatable Bonds
3
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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