Molecule

ID:128124

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈FNO₂
Molecular Mass
251.2966232
Exact Mass
251.13215704
Charge
0
InChI
InChI=1S/C14H18FNO2/c15-13-4-5-14(12-3-1-2-11(12)13)18-9-10-8-16-6-7-17-10/h4-5,10,16H,1-3,6-9H2/t10-/m0/s1
InChIKey
HTODIQZHVCHVGM-JTQLQIEISA-N
Canonic Smiles
Fc1ccc(c2c1CCC2)OC[C@@H]1CNCCO1
Isomeric Smiles
C1Cc2c(ccc(c2C1)F)OC[C@@H]1CNCCO1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.14422627
LogD (pH = 7.4)
1.5851637
Log P
2.4428253
Molar Refractivity
67.0879
Polarizability
26.018436
Polar Surface Area
30.49
Rotatable Bonds
3
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
References
Bioactivity
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