Molecule

ID:60655

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₈FNO₂
Molecular Mass
311.3501232
Exact Mass
311.13215704
Charge
0
InChI
InChI=1S/C19H18FNO2/c1-12-11-19(2,3)21-17-8-7-15(10-16(12)17)23-18(22)13-5-4-6-14(20)9-13/h4-11,21H,1-3H3
InChIKey
HQPJEZKOVWECFG-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)C(=O)Oc1ccc2c(c1)C(=CC(N2)(C)C)C
Isomeric Smiles
C1(=CC(Nc2c1cc(OC(=O)c1cc(F)ccc1)cc2)(C)C)C
Calculated Properties
JChem
Acid pKa
19.264606
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.5891476
LogD (pH = 7.4)
4.60761
Log P
4.6078506
Molar Refractivity
90.4833
Polarizability
33.416553
Polar Surface Area
38.33
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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