Molecule

ID:6773

General Information
Structure
MolImage
Molecular Formula
C₃H₄F₅N
Molecular Mass
149.062576
Exact Mass
149.02639023
Charge
0
InChI
InChI=1S/C3H4F5N/c4-2(5,1-9)3(6,7)8/h1,9H2
InChIKey
DPQNQLKPUVWGHE-UHFFFAOYSA-N
Canonic Smiles
NCC(C(F)(F)F)(F)F
Isomeric Smiles
C(N)C(C(F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.73717237
LogD (pH = 7.4)
0.7836145
Log P
1.0302801
Molar Refractivity
20.0369
Polarizability
7.556239
Polar Surface Area
26.02
Rotatable Bonds
2
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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