Molecule

ID:28852

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈FNO
Molecular Mass
259.3186232
Exact Mass
259.13724242
Charge
0
InChI
InChI=1S/C16H18FNO/c1-2-13-3-9-16(10-4-13)19-12-11-18-15-7-5-14(17)6-8-15/h3-10,18H,2,11-12H2,1H3
InChIKey
RBFPLLHFDJTRHA-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(cc1)OCCNc1ccc(cc1)F
Isomeric Smiles
c1(NCCOc2ccc(cc2)CC)ccc(F)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.1676674
LogD (pH = 7.4)
4.190467
Log P
4.1907654
Molar Refractivity
76.6626
Polarizability
28.675768
Polar Surface Area
21.26
Rotatable Bonds
6
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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