Molecule

ID:20421

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁ClFNO
Molecular Mass
191.6304432
Exact Mass
191.05131988
Charge
0
InChI
InChI=1S/C8H10FNO.ClH/c1-2-11-8-4-3-6(10)5-7(8)9;/h3-5H,2,10H2,1H3;1H
InChIKey
HOIZUHSWTLZVHL-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1F)N.Cl
Isomeric Smiles
c1(cc(N)ccc1OCC)F.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4715196
LogD (pH = 7.4)
1.4859711
Log P
1.4861585
Molar Refractivity
42.1866
Polarizability
15.506145
Polar Surface Area
35.25
Rotatable Bonds
2
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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