Molecule

ID:9767

General Information
Structure
Molecular Formula
C₁₄H₁₄F₅NO₄
Molecular Mass
355.257276
Exact Mass
355.08429903
Charge
0
InChI
InChI=1S/C14H14F5NO4/c1-14(2,3)24-13(23)20-6(12(21)22)4-5-7(15)9(17)11(19)10(18)8(5)16/h6H,4H2,1-3H3,(H,20,23)(H,21,22)/t6-/m0/s1
InChIKey
UZDKQMIDSLETST-LURJTMIESA-N
Canonic Smiles
OC(=O)[C@H](Cc1c(F)c(F)c(c(c1F)F)F)NC(=O)OC(C)(C)C
Isomeric Smiles
O=C([C@@H](NC(=O)OC(C)(C)C)Cc1c(c(c(c(c1F)F)F)F)F)O
Calculated Properties
JChem
Acid pKa
2.786395
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.6305317
LogD (pH = 7.4)
-0.21212834
Log P
3.2832222
Molar Refractivity
71.0713
Polarizability
26.645536
Polar Surface Area
75.63
Rotatable Bonds
6
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
References
Bioactivity
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