Molecule

ID:29172

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈FNO₂
Molecular Mass
275.3180232
Exact Mass
275.13215704
Charge
0
InChI
InChI=1S/C16H18FNO2/c1-19-10-11-20-14-8-6-13(7-9-14)12-18-16-5-3-2-4-15(16)17/h2-9,18H,10-12H2,1H3
InChIKey
QMBKRIRSZOTGRB-UHFFFAOYSA-N
Canonic Smiles
COCCOc1ccc(cc1)CNc1ccccc1F
Isomeric Smiles
N(c1c(F)cccc1)Cc1ccc(cc1)OCCOC
Calculated Properties
JChem
Acid pKa
16.313826
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.1082044
LogD (pH = 7.4)
3.108548
Log P
3.1085522
Molar Refractivity
78.5875
Polarizability
29.44731
Polar Surface Area
30.49
Rotatable Bonds
7
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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