Molecule

ID:20005

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄FNO₂
Molecular Mass
247.2648632
Exact Mass
247.10085691
Charge
0
InChI
InChI=1S/C14H14FNO2/c1-2-17-11-4-6-12(7-5-11)18-14-8-3-10(15)9-13(14)16/h3-9H,2,16H2,1H3
InChIKey
VFOKANOHSGRCMK-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)Oc1ccc(cc1N)F
Isomeric Smiles
c1(c(cc(cc1)F)N)Oc1ccc(cc1)OCC
Calculated Properties
JChem
Acid pKa
19.13648
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.9863293
LogD (pH = 7.4)
2.9864442
Log P
2.9864457
Molar Refractivity
68.4274
Polarizability
25.812893
Polar Surface Area
44.48
Rotatable Bonds
4
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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