Molecule

ID:28856

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈FNO
Molecular Mass
259.3186232
Exact Mass
259.13724242
Charge
0
InChI
InChI=1S/C16H18FNO/c1-12(2)19-16-9-3-13(4-10-16)11-18-15-7-5-14(17)6-8-15/h3-10,12,18H,11H2,1-2H3
InChIKey
RSSTZEBLYIRACJ-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccc(cc1)CNc1ccc(cc1)F)C
Isomeric Smiles
N(c1ccc(F)cc1)Cc1ccc(OC(C)C)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.9153802
LogD (pH = 7.4)
3.9287376
Log P
3.9289107
Molar Refractivity
76.7114
Polarizability
28.749557
Polar Surface Area
21.26
Rotatable Bonds
5
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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