Molecule
ID:33173
General Information
Molecular Formula
C₈H₁₀F₃NO₃
Molecular Mass
225.1651096
Exact Mass
225.06127785
Charge
0
InChI
InChI=1S/C8H10F3NO3/c9-8(10,11)7(15)12-3-1-5(2-4-12)6(13)14/h5H,1-4H2,(H,13,14)
InChIKey
USCGUOIGFONADD-UHFFFAOYSA-N
Canonic Smiles
O=C(C(F)(F)F)N1CCC(CC1)C(=O)O
Isomeric Smiles
C(=O)(C(F)(F)F)N1CCC(C(=O)O)CC1
Calculated Properties
JChem
Acid pKa
3.96324
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.92230195
LogD (pH = 7.4)
-2.5572705
Log P
0.6225031
Molar Refractivity
43.6514
Polarizability
16.25927
Polar Surface Area
57.61
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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