Molecule

ID:40038

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClFNO₃
Molecular Mass
247.6506432
Exact Mass
247.04114912
Charge
0
InChI
InChI=1S/C10H11ClFNO3/c1-2-15-10(14)5-16-9-4-8(13)7(12)3-6(9)11/h3-4H,2,5,13H2,1H3
InChIKey
PCLVVRBCFCKYLX-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)COc1cc(N)c(cc1Cl)F
Isomeric Smiles
c1c(c(cc(c1N)F)Cl)OCC(=O)OCC
Calculated Properties
JChem
Acid pKa
18.04371
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.7140416
LogD (pH = 7.4)
1.7140801
Log P
1.7140806
Molar Refractivity
57.8451
Polarizability
22.00556
Polar Surface Area
61.55
Rotatable Bonds
5
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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