Molecule
ID:106277
General Information
Molecular Formula
C₁₉H₁₅F₃N₂O₃
Molecular Mass
376.3292096
Exact Mass
376.10347701
Charge
0
InChI
InChI=1S/C19H15F3N2O3/c20-19(21,22)14-10-17(25)27-16-9-12(6-7-13(14)16)24-18(26)15(23)8-11-4-2-1-3-5-11/h1-7,9-10,15H,8,23H2,(H,24,26)/t15-/m0/s1
InChIKey
RLUQOJGOTWDZKP-HNNXBMFYSA-N
Canonic Smiles
O=C([C@H](Cc1ccccc1)N)Nc1ccc2c(c1)oc(=O)cc2C(F)(F)F
Isomeric Smiles
N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)oc(=O)cc2C(F)(F)F
Calculated Properties
JChem
Acid pKa
12.80006
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.59721464
LogD (pH = 7.4)
2.291266
Log P
2.9858525
Molar Refractivity
94.0987
Polarizability
34.63071
Polar Surface Area
81.42
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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