Molecule

ID:19829

General Information
Structure
Molecular Formula
C₁₃H₁₂FNO
Molecular Mass
217.2388832
Exact Mass
217.09029223
Charge
0
InChI
InChI=1S/C13H12FNO/c1-9-5-6-13(12(15)7-9)16-11-4-2-3-10(14)8-11/h2-8H,15H2,1H3
InChIKey
OZJSFNUHYUYWHO-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)N)Oc1cccc(c1)F
Isomeric Smiles
c1(c(cc(cc1)C)N)Oc1cc(F)ccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.299142
LogD (pH = 7.4)
3.3007104
Log P
3.3007305
Molar Refractivity
62.2568
Polarizability
23.209278
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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