Molecule

ID:19459

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆FNO
Molecular Mass
209.2599432
Exact Mass
209.12159236
Charge
0
InChI
InChI=1S/C12H16FNO/c1-15-12-3-2-10(13)8-11(12)9-4-6-14-7-5-9/h2-3,8-9,14H,4-7H2,1H3
InChIKey
VSOZYVHMRRLERD-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1C1CCNCC1)F
Isomeric Smiles
c1(c(ccc(c1)F)OC)C1CCNCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.1550475
LogD (pH = 7.4)
-0.44379723
Log P
2.0633414
Molar Refractivity
58.1586
Polarizability
22.42665
Polar Surface Area
21.26
Rotatable Bonds
2
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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