Molecule

ID:21034

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClFNO
Molecular Mass
215.6518432
Exact Mass
215.05131988
Charge
0
InChI
InChI=1S/C10H11ClFNO/c11-9-5-7(12)1-2-10(9)14-8-3-4-13-6-8/h1-2,5,8,13H,3-4,6H2
InChIKey
XHMHTNULNLTTSJ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)Cl)OC1CNCC1
Isomeric Smiles
c1(c(cc(cc1)F)Cl)OC1CCNC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0832163
LogD (pH = 7.4)
-0.5706907
Log P
2.1461196
Molar Refractivity
52.8334
Polarizability
20.76762
Polar Surface Area
21.26
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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