Molecule

ID:18912

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃ClFNO
Molecular Mass
205.6570232
Exact Mass
205.06696994
Charge
0
InChI
InChI=1S/C9H12FNO.ClH/c1-11-6-7-12-9-4-2-8(10)3-5-9;/h2-5,11H,6-7H2,1H3;1H
InChIKey
QAEIAJVRAPETIT-UHFFFAOYSA-N
Canonic Smiles
CNCCOc1ccc(cc1)F.Cl
Isomeric Smiles
C(COc1ccc(cc1)F)NC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5810893
LogD (pH = 7.4)
-0.49696255
Log P
1.593873
Molar Refractivity
45.462
Polarizability
17.713276
Polar Surface Area
21.26
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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