Molecule

ID:20020

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₂FNO
Molecular Mass
253.2709832
Exact Mass
253.09029223
Charge
0
InChI
InChI=1S/C16H12FNO/c17-13-6-8-16(15(18)10-13)19-14-7-5-11-3-1-2-4-12(11)9-14/h1-10H,18H2
InChIKey
ITYQZIWZJRYBMG-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)N)Oc1ccc2c(c1)cccc2
Isomeric Smiles
c1(c(cc(cc1)F)N)Oc1cc2c(cc1)cccc2
Calculated Properties
JChem
Acid pKa
19.13166
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.7766175
LogD (pH = 7.4)
3.7767837
Log P
3.7767859
Molar Refractivity
73.6658
Polarizability
28.96836
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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