Molecule

ID:20423

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₃ClFNO
Molecular Mass
253.6998232
Exact Mass
253.06696994
Charge
0
InChI
InChI=1S/C13H12FNO.ClH/c14-12-8-11(15)6-7-13(12)16-9-10-4-2-1-3-5-10;/h1-8H,9,15H2;1H
InChIKey
GWWCZRDLDLFAIR-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)F)OCc1ccccc1.Cl
Isomeric Smiles
Nc1cc(c(cc1)OCc1ccccc1)F.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.838084
LogD (pH = 7.4)
2.853622
Log P
2.8538237
Molar Refractivity
62.0506
Polarizability
23.22419
Polar Surface Area
35.25
Rotatable Bonds
3
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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