Molecule

ID:37525

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆F₃NO₃
Molecular Mass
255.2341496
Exact Mass
255.10822804
Charge
0
InChI
InChI=1S/C10H16F3NO3/c1-2-17-4-3-14-5-7(9(15)16)8(6-14)10(11,12)13/h7-8H,2-6H2,1H3,(H,15,16)/t7-,8-/m1/s1
InChIKey
VWKJBJKCLHPFLX-HTQZYQBOSA-N
Canonic Smiles
CCOCCN1C[C@H]([C@@H](C1)C(F)(F)F)C(=O)O
Isomeric Smiles
C1[C@H]([C@@H](CN1CCOCC)C(=O)O)C(F)(F)F
Calculated Properties
JChem
Acid pKa
3.4195752
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.0769331
LogD (pH = 7.4)
-2.0990326
Log P
-2.0756662
Molar Refractivity
54.6596
Polarizability
20.710548
Polar Surface Area
49.77
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
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References
Bioactivity
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