Molecule

ID:18978

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆FNO
Molecular Mass
209.2599432
Exact Mass
209.12159236
Charge
0
InChI
InChI=1S/C12H16FNO/c13-11-4-2-1-3-10(11)12(9-14)5-7-15-8-6-12/h1-4H,5-9,14H2
InChIKey
GHWCDYSBZXDILZ-UHFFFAOYSA-N
Canonic Smiles
NCC1(CCOCC1)c1ccccc1F
Isomeric Smiles
c1(C2(CN)CCOCC2)c(F)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.520636
LogD (pH = 7.4)
-0.4689493
Log P
1.4508348
Molar Refractivity
57.9218
Polarizability
22.441647
Polar Surface Area
35.25
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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