Molecule

ID:19975

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁ClFNO
Molecular Mass
251.6839432
Exact Mass
251.05131988
Charge
0
InChI
InChI=1S/C13H11ClFNO/c1-8-2-4-10(14)13(6-8)17-12-5-3-9(15)7-11(12)16/h2-7H,16H2,1H3
InChIKey
AGXCFKQGSRXMRF-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)N)Oc1cc(C)ccc1Cl
Isomeric Smiles
c1(Oc2c(cc(cc2)F)N)c(ccc(c1)C)Cl
Calculated Properties
JChem
Acid pKa
19.101063
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.9046834
LogD (pH = 7.4)
3.904774
Log P
3.9047751
Molar Refractivity
67.0616
Polarizability
25.119078
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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