Molecule

ID:55897

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₅F₄N₃O₂
Molecular Mass
357.3028128
Exact Mass
357.11003962
Charge
0
InChI
InChI=1S/C16H15F4N3O2/c1-2-25-15(24)12-8-14-21-11(9-3-5-10(17)6-4-9)7-13(16(18,19)20)23(14)22-12/h3-6,8,11,13,21H,2,7H2,1H3
InChIKey
GCKMWSUSMCPJKR-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nn2c(c1)NC(CC2C(F)(F)F)c1ccc(cc1)F
Isomeric Smiles
n12c(cc(n1)C(=O)OCC)NC(CC2C(F)(F)F)c1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.3395457
LogD (pH = 7.4)
3.3395505
Log P
3.3395505
Molar Refractivity
93.3263
Polarizability
29.88855
Polar Surface Area
56.15
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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