Molecule

ID:30269

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₉FN₂O
Molecular Mass
310.3653632
Exact Mass
310.14814146
Charge
0
InChI
InChI=1S/C19H19FN2O/c1-12-7-13(2)17-9-15(19(23)22-18(17)8-12)11-21-10-14-3-5-16(20)6-4-14/h3-9,21H,10-11H2,1-2H3,(H,22,23)
InChIKey
QSIQLRYPUWDAAY-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)c2c(c1)[nH]c(=O)c(c2)CNCc1ccc(cc1)F
Isomeric Smiles
c1(c(=O)[nH]c2c(c1)c(cc(c2)C)C)CNCc1ccc(F)cc1
Calculated Properties
JChem
Acid pKa
13.577636
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.3226589
LogD (pH = 7.4)
3.0494788
Log P
3.931638
Molar Refractivity
92.7545
Polarizability
34.128387
Polar Surface Area
41.13
Rotatable Bonds
4
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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