Molecule

ID:20009

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀FNO
Molecular Mass
273.3452032
Exact Mass
273.15289249
Charge
0
InChI
InChI=1S/C17H20FNO/c1-4-17(2,3)12-5-8-14(9-6-12)20-16-10-7-13(18)11-15(16)19/h5-11H,4,19H2,1-3H3
InChIKey
CJMJLTHLPVYVKJ-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccc(cc1)Oc1ccc(cc1N)F)(C)C
Isomeric Smiles
c1(c(cc(cc1)F)N)Oc1ccc(C(CC)(C)C)cc1
Calculated Properties
JChem
Acid pKa
19.134506
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.776766
LogD (pH = 7.4)
4.776932
Log P
4.776934
Molar Refractivity
80.4825
Polarizability
30.57349
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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