Molecule

ID:95630

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄F₂O₂
Molecular Mass
252.2565664
Exact Mass
252.09618613
Charge
0
InChI
InChI=1S/C14H14F2O2/c15-12-7-6-11(13(16)10-12)4-3-9-18-14-5-1-2-8-17-14/h6-7,10,14H,1-2,5,8-9H2
InChIKey
NOKFQAFJMJGYLE-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)F)C#CCOC1CCCCO1
Isomeric Smiles
O1C(OCC#Cc2ccc(cc2F)F)CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.5088377
LogD (pH = 7.4)
3.5088377
Log P
3.5088377
Molar Refractivity
61.7233
Polarizability
24.010544
Polar Surface Area
18.46
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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