Molecule

ID:19944

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁F₂NO
Molecular Mass
235.2293464
Exact Mass
235.08087042
Charge
0
InChI
InChI=1S/C13H11F2NO/c1-8-2-4-11(16)13(6-8)17-12-5-3-9(14)7-10(12)15/h2-7H,16H2,1H3
InChIKey
DLLGUZNDNXIMAD-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)F)Oc1cc(C)ccc1N
Isomeric Smiles
c1(Oc2c(cc(cc2)F)F)c(ccc(c1)C)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.4419944
LogD (pH = 7.4)
3.4434142
Log P
3.4434323
Molar Refractivity
62.4732
Polarizability
22.911457
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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