Molecule

ID:20723

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅F₂NO
Molecular Mass
227.2504064
Exact Mass
227.11217055
Charge
0
InChI
InChI=1S/C12H15F2NO/c13-10-3-4-12(11(14)6-10)16-8-9-2-1-5-15-7-9/h3-4,6,9,15H,1-2,5,7-8H2
InChIKey
NSHADKHLTYCVGC-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)F)OCC1CCCNC1
Isomeric Smiles
c1(cc(ccc1OCC1CNCCC1)F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.9749931
LogD (pH = 7.4)
-0.3174053
Log P
2.2468941
Molar Refractivity
57.8296
Polarizability
22.21899
Polar Surface Area
21.26
Rotatable Bonds
3
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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