Molecule

ID:11356

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅ClFNO
Molecular Mass
219.6836032
Exact Mass
219.08262001
Charge
0
InChI
InChI=1S/C10H14FNO.ClH/c11-9-3-5-10(6-4-9)12-7-1-2-8-13;/h3-6,12-13H,1-2,7-8H2;1H
InChIKey
MDXZYHPFLINSKB-UHFFFAOYSA-N
Canonic Smiles
OCCCCNc1ccc(cc1)F.Cl
Isomeric Smiles
c1(NCCCCO)ccc(F)cc1.Cl
Calculated Properties
JChem
Acid pKa
15.972559
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.3106369
LogD (pH = 7.4)
1.4734178
Log P
1.4759463
Molar Refractivity
52.2705
Polarizability
19.11773
Polar Surface Area
32.26
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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