Molecule

ID:65108

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃F₂NO₃
Molecular Mass
221.2012264
Exact Mass
221.08634972
Charge
0
InChI
InChI=1S/C9H13F2NO3/c1-8(2,3)15-7(14)12-4-6(13)9(10,11)5-12/h4-5H2,1-3H3
InChIKey
PVBHORJISFZNBG-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CC(=O)C(C1)(F)F)OC(C)(C)C
Isomeric Smiles
C1(=O)C(CN(C1)C(=O)OC(C)(C)C)(F)F
Calculated Properties
JChem
Acid pKa
14.376649
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6042736
LogD (pH = 7.4)
1.6042736
Log P
1.6042736
Molar Refractivity
47.5833
Polarizability
18.29866
Polar Surface Area
46.61
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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