Molecule

ID:19922

General Information
Structure
Molecular Formula
C₁₃H₁₂FNO
Molecular Mass
217.2388832
Exact Mass
217.09029223
Charge
0
InChI
InChI=1S/C13H12FNO/c1-9-2-7-12(15)13(8-9)16-11-5-3-10(14)4-6-11/h2-8H,15H2,1H3
InChIKey
CBPOCVKJCRCXMG-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)Oc1cc(C)ccc1N
Isomeric Smiles
c1(Oc2ccc(F)cc2)c(ccc(c1)C)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.29828
LogD (pH = 7.4)
3.3006995
Log P
3.3007305
Molar Refractivity
62.2568
Polarizability
23.20885
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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