Molecule

ID:19956

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆FNO
Molecular Mass
197.2492432
Exact Mass
197.12159236
Charge
0
InChI
InChI=1S/C11H16FNO/c1-8(2)5-6-14-11-4-3-9(12)7-10(11)13/h3-4,7-8H,5-6,13H2,1-2H3
InChIKey
CJLRSACOKGOKTG-UHFFFAOYSA-N
Canonic Smiles
CC(CCOc1ccc(cc1N)F)C
Isomeric Smiles
c1(cc(ccc1OCCC(C)C)F)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.7374468
LogD (pH = 7.4)
2.740233
Log P
2.7402687
Molar Refractivity
55.8602
Polarizability
21.010267
Polar Surface Area
35.25
Rotatable Bonds
4
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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