Molecule

ID:20476

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄FNO
Molecular Mass
231.2654632
Exact Mass
231.10594229
Charge
0
InChI
InChI=1S/C14H14FNO/c1-2-10-3-6-12(7-4-10)17-14-8-5-11(16)9-13(14)15/h3-9H,2,16H2,1H3
InChIKey
QAYXQKCQOAITSJ-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(cc1)Oc1ccc(cc1F)N
Isomeric Smiles
c1(c(cc(N)cc1)F)Oc1ccc(cc1)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.7420635
LogD (pH = 7.4)
3.745258
Log P
3.745299
Molar Refractivity
66.8578
Polarizability
25.047237
Polar Surface Area
35.25
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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