Molecule

ID:19909

General Information
Structure
Molecular Formula
C₁₃H₁₂FNO
Molecular Mass
217.2388832
Exact Mass
217.09029223
Charge
0
InChI
InChI=1S/C13H12FNO/c1-9-5-6-12(15)13(7-9)16-11-4-2-3-10(14)8-11/h2-8H,15H2,1H3
InChIKey
BYHVUVVMTRISSV-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)Oc1cccc(c1)F)N
Isomeric Smiles
c1(Oc2cc(F)ccc2)c(ccc(c1)C)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.2983143
LogD (pH = 7.4)
3.3007
Log P
3.3007305
Molar Refractivity
62.2568
Polarizability
23.209011
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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