Molecule

ID:58654

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉FN₂O₂
Molecular Mass
278.3219632
Exact Mass
278.14305608
Charge
0
InChI
InChI=1S/C15H19FN2O2/c1-15(2,3)20-14(19)17-7-6-10-9-18-13-5-4-11(16)8-12(10)13/h4-5,8-9,18H,6-7H2,1-3H3,(H,17,19)
InChIKey
OFNSHTUMRBGNDU-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)NCCc1c[nH]c2c1cc(F)cc2
Isomeric Smiles
c1(ccc2c(c1)c(c[nH]2)CCNC(=O)OC(C)(C)C)F
Calculated Properties
JChem
Acid pKa
14.874871
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
3.1212368
LogD (pH = 7.4)
3.1212368
Log P
3.1212368
Molar Refractivity
75.4623
Polarizability
29.969536
Polar Surface Area
54.12
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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