Molecule

ID:42707

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅FN₂O₂
Molecular Mass
262.2795032
Exact Mass
262.11175595
Charge
0
InChI
InChI=1S/C14H15FN2O2/c1-2-19-14(18)17-6-5-13-11(8-17)10-7-9(15)3-4-12(10)16-13/h3-4,7,16H,2,5-6,8H2,1H3
InChIKey
OYAGMJMNTRNOCC-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)N1Cc2c(CC1)[nH]c1c2cc(F)cc1
Isomeric Smiles
c12c([nH]c3c1cc(cc3)F)CCN(C2)C(=O)OCC
Calculated Properties
JChem
Acid pKa
15.585641
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.0902882
LogD (pH = 7.4)
2.0902882
Log P
2.0902882
Molar Refractivity
69.8445
Polarizability
27.403898
Polar Surface Area
45.33
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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