Molecule

ID:94308

General Information
Structure
MolImage
Molecular Formula
C₈H₁₃F₃N₂O₃
Molecular Mass
242.1956296
Exact Mass
242.08782695
Charge
0
InChI
InChI=1S/C8H13F3N2O3/c9-8(10,11)7(16)13-4-2-1-3-5(12)6(14)15/h5H,1-4,12H2,(H,13,16)(H,14,15)/t5-/m0/s1
InChIKey
PZZHRSVBHRVIMI-YFKPBYRVSA-N
Canonic Smiles
OC(=O)[C@H](CCCCNC(=O)C(F)(F)F)N
Isomeric Smiles
N(C(=O)C(F)(F)F)CCCC[C@@H](C(=O)O)N
Calculated Properties
JChem
Acid pKa
2.0008624
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-2.0956748
LogD (pH = 7.4)
-2.8117821
Log P
-2.0271525
Molar Refractivity
48.2635
Polarizability
18.425383
Polar Surface Area
92.42
Rotatable Bonds
7
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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