Molecule

ID:23315

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₃FN₂O₂
Molecular Mass
330.3965232
Exact Mass
330.17435621
Charge
0
InChI
InChI=1S/C19H23FN2O2/c1-12(18(23)22-17-11-14(21)7-10-16(17)20)24-15-8-5-13(6-9-15)19(2,3)4/h5-12H,21H2,1-4H3,(H,22,23)
InChIKey
OXOPDRBQDMJXSD-UHFFFAOYSA-N
Canonic Smiles
O=C(C(Oc1ccc(cc1)C(C)(C)C)C)Nc1cc(N)ccc1F
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1F)C(Oc1ccc(C(C)(C)C)cc1)C
Calculated Properties
JChem
Acid pKa
11.098611
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.1510873
LogD (pH = 7.4)
4.1553183
Log P
4.155456
Molar Refractivity
94.9597
Polarizability
35.40217
Polar Surface Area
64.35
Rotatable Bonds
5
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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