Molecule

ID:28857

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₀FNO₂
Molecular Mass
337.3874032
Exact Mass
337.14780711
Charge
0
InChI
InChI=1S/C21H20FNO2/c22-18-8-10-19(11-9-18)23-16-17-6-12-21(13-7-17)25-15-14-24-20-4-2-1-3-5-20/h1-13,23H,14-16H2
InChIKey
FKMQDXQNTWSRTD-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)NCc1ccc(cc1)OCCOc1ccccc1
Isomeric Smiles
N(c1ccc(F)cc1)Cc1ccc(cc1)OCCOc1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.786047
LogD (pH = 7.4)
4.799404
Log P
4.799577
Molar Refractivity
98.0962
Polarizability
37.181156
Polar Surface Area
30.49
Rotatable Bonds
8
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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