Molecule

ID:18534

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈FNO
Molecular Mass
259.3186232
Exact Mass
259.13724242
Charge
0
InChI
InChI=1S/C16H18FNO/c1-19-15-8-4-13(5-9-15)16(10-11-18)12-2-6-14(17)7-3-12/h2-9,16H,10-11,18H2,1H3
InChIKey
IYOIETVLDHFHQD-UHFFFAOYSA-N
Canonic Smiles
NCCC(c1ccc(cc1)F)c1ccc(cc1)OC
Isomeric Smiles
c1(C(c2ccc(cc2)F)CCN)ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.21866053
LogD (pH = 7.4)
0.7534899
Log P
3.238098
Molar Refractivity
75.2106
Polarizability
29.060286
Polar Surface Area
35.25
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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