Molecule

ID:63981

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₉FN₂O
Molecular Mass
310.3653632
Exact Mass
310.14814146
Charge
0
InChI
InChI=1S/C19H19FN2O/c20-15-6-7-17-16(12-15)19(18(23)21-17)8-10-22(11-9-19)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,21,23)
InChIKey
UWBXLXWTUPFQNA-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)C1(CCN(CC1)Cc1ccccc1)C(=O)N2
Isomeric Smiles
C12(C(=O)Nc3c1cc(cc3)F)CCN(Cc1ccccc1)CC2
Calculated Properties
JChem
Acid pKa
13.438285
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.17549981
LogD (pH = 7.4)
1.8401784
Log P
3.2813296
Molar Refractivity
90.0143
Polarizability
33.71993
Polar Surface Area
32.34
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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