Molecule

ID:13534

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇ClFNO
Molecular Mass
233.7101832
Exact Mass
233.09827007
Charge
0
InChI
InChI=1S/C11H16FNO.ClH/c1-9(8-14-2)13-7-10-5-3-4-6-11(10)12;/h3-6,9,13H,7-8H2,1-2H3;1H
InChIKey
YPFBZDONZODOMV-UHFFFAOYSA-N
Canonic Smiles
COCC(NCc1ccccc1F)C.Cl
Isomeric Smiles
c1c(c(ccc1)F)CNC(COC)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.7232578
LogD (pH = 7.4)
0.96540225
Log P
2.0438962
Molar Refractivity
54.9847
Polarizability
21.400984
Polar Surface Area
21.26
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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