Molecule

ID:20909

General Information
Structure
Molecular Formula
C₁₁H₁₃F₂NO
Molecular Mass
213.2238264
Exact Mass
213.09652048
Charge
0
InChI
InChI=1S/C11H13F2NO/c12-10-4-3-8(6-11(10)13)15-9-2-1-5-14-7-9/h3-4,6,9,14H,1-2,5,7H2
InChIKey
NDRPULUTXCJBDC-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1F)OC1CCCNC1
Isomeric Smiles
c1(cc(OC2CNCCC2)ccc1F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.96321726
LogD (pH = 7.4)
0.1697372
Log P
2.2021396
Molar Refractivity
52.8896
Polarizability
20.390944
Polar Surface Area
21.26
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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