Molecule

ID:95629

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄ClFO₂
Molecular Mass
268.7111632
Exact Mass
268.06663559
Charge
0
InChI
InChI=1S/C14H14ClFO2/c15-12-10-11(6-7-13(12)16)4-3-9-18-14-5-1-2-8-17-14/h6-7,10,14H,1-2,5,8-9H2
InChIKey
HJKBOUJTDYKEOJ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1Cl)C#CCOC1CCCCO1
Isomeric Smiles
O1C(OCC#Cc2ccc(c(c2)Cl)F)CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.9701803
LogD (pH = 7.4)
3.9701803
Log P
3.9701803
Molar Refractivity
66.3117
Polarizability
26.214376
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
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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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