Molecule

ID:20746

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈FNO
Molecular Mass
223.2865232
Exact Mass
223.13724242
Charge
0
InChI
InChI=1S/C13H18FNO/c14-13-3-1-2-12(8-13)10-16-9-11-4-6-15-7-5-11/h1-3,8,11,15H,4-7,9-10H2
InChIKey
VRKGBKBAFZCMPO-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)COCC1CCNCC1
Isomeric Smiles
N1CCC(COCc2cc(F)ccc2)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.1353381
LogD (pH = 7.4)
-0.67458344
Log P
2.0960834
Molar Refractivity
62.8159
Polarizability
24.353107
Polar Surface Area
21.26
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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