Molecule

ID:19984

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄FNO
Molecular Mass
231.2654632
Exact Mass
231.10594229
Charge
0
InChI
InChI=1S/C14H14FNO/c1-9-3-4-10(2)14(7-9)17-13-6-5-11(15)8-12(13)16/h3-8H,16H2,1-2H3
InChIKey
BDDRIAYSUSZFDI-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)N)Oc1cc(C)ccc1C
Isomeric Smiles
c1(Oc2c(cc(cc2)F)N)c(ccc(c1)C)C
Calculated Properties
JChem
Acid pKa
19.130306
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.8139884
LogD (pH = 7.4)
3.8141496
Log P
3.8141518
Molar Refractivity
67.298
Polarizability
24.97432
Polar Surface Area
35.25
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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