Molecule

ID:34153

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆FNO
Molecular Mass
209.2599432
Exact Mass
209.12159236
Charge
0
InChI
InChI=1S/C12H16FNO/c13-11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10/h1-4,10,12,14-15H,5-8H2
InChIKey
GEOSFHFASCZYCA-UHFFFAOYSA-N
Canonic Smiles
OC(c1ccc(cc1)F)C1CCNCC1
Isomeric Smiles
c1(ccc(cc1)F)C(C1CCNCC1)O
Calculated Properties
JChem
Acid pKa
14.185737
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.7083098
LogD (pH = 7.4)
-1.0369604
Log P
1.512724
Molar Refractivity
57.7349
Polarizability
22.441658
Polar Surface Area
32.26
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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