Molecule

ID:20527

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₃ClFNO
Molecular Mass
253.6998232
Exact Mass
253.06696994
Charge
0
InChI
InChI=1S/C13H12FNO.ClH/c1-9-7-12(5-6-13(9)15)16-11-4-2-3-10(14)8-11;/h2-8H,15H2,1H3;1H
InChIKey
JMWDYKUUFCCWLD-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)Oc1ccc(c(c1)C)N.Cl
Isomeric Smiles
c1(c(ccc(c1)Oc1cc(F)ccc1)N)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.287334
LogD (pH = 7.4)
3.300559
Log P
3.3007305
Molar Refractivity
62.2568
Polarizability
23.207918
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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