Molecule

ID:100716

General Information
Structure
Molecular Formula
C₁₀H₁₀ClFO₂
Molecular Mass
216.6366032
Exact Mass
216.03533546
Charge
0
InChI
InChI=1S/C10H10ClFO2/c11-8-2-1-3-9(12)7(8)6-10-13-4-5-14-10/h1-3,10H,4-6H2
InChIKey
UWJKXBZZDXBIQA-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1CC1OCCO1)Cl
Isomeric Smiles
O1C(OCC1)Cc1c(cccc1F)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7631066
LogD (pH = 7.4)
2.7631066
Log P
2.7631066
Molar Refractivity
51.3238
Polarizability
19.907568
Polar Surface Area
18.46
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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