Molecule

ID:19021

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClFNO
Molecular Mass
215.6518432
Exact Mass
215.05131988
Charge
0
InChI
InChI=1S/C10H11ClFNO/c11-7-10(14)13-6-5-8-1-3-9(12)4-2-8/h1-4H,5-7H2,(H,13,14)
InChIKey
QRXAIIWZPWKFGE-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)NCCc1ccc(cc1)F
Isomeric Smiles
C(=O)(NCCc1ccc(F)cc1)CCl
Calculated Properties
JChem
Acid pKa
12.302699
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.8865677
LogD (pH = 7.4)
1.886563
Log P
1.8865678
Molar Refractivity
53.6998
Polarizability
20.449402
Polar Surface Area
29.1
Rotatable Bonds
4
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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