Molecule

ID:29170

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₀FNO₂
Molecular Mass
337.3874032
Exact Mass
337.14780711
Charge
0
InChI
InChI=1S/C21H20FNO2/c22-20-8-4-5-9-21(20)23-16-17-10-12-19(13-11-17)25-15-14-24-18-6-2-1-3-7-18/h1-13,23H,14-16H2
InChIKey
IQNSTAHDZQWDCQ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1NCc1ccc(cc1)OCCOc1ccccc1
Isomeric Smiles
N(c1c(F)cccc1)Cc1ccc(cc1)OCCOc1ccccc1
Calculated Properties
JChem
Acid pKa
16.313826
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.7992296
LogD (pH = 7.4)
4.799573
Log P
4.799577
Molar Refractivity
98.0962
Polarizability
37.18248
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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