Molecule

ID:19949

General Information
Structure
Molecular Formula
C₁₄H₂₀FNO
Molecular Mass
237.3131032
Exact Mass
237.15289249
Charge
0
InChI
InChI=1S/C14H20FNO/c15-12-6-7-14(13(16)10-12)17-9-8-11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9,16H2
InChIKey
GTNASJXTWNUXQR-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)N)OCCC1CCCCC1
Isomeric Smiles
c1(cc(ccc1OCCC1CCCCC1)F)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.6071448
LogD (pH = 7.4)
3.6102095
Log P
3.6102488
Molar Refractivity
67.861
Polarizability
25.801369
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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