Molecule

ID:7692

General Information
Structure
Molecular Formula
C₅H₁₀FNO₂
Molecular Mass
135.1368032
Exact Mass
135.06955679
Charge
0
InChI
InChI=1S/C5H10FNO2/c1-5(2,6)3(7)4(8)9/h3H,7H2,1-2H3,(H,8,9)
InChIKey
ZFUKCHCGMBNYHH-UHFFFAOYSA-N
Canonic Smiles
NC(C(F)(C)C)C(=O)O
Isomeric Smiles
C(N)(C(C)(C)F)C(=O)O
Calculated Properties
JChem
Acid pKa
2.3507109
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.294979
LogD (pH = 7.4)
-2.330993
Log P
-2.295201
Molar Refractivity
29.4059
Polarizability
11.828689
Polar Surface Area
63.32
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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