Molecule

ID:95081

General Information
Structure
Molecular Formula
C₉H₉F₂NO₂
Molecular Mass
201.1700664
Exact Mass
201.06013497
Charge
0
InChI
InChI=1S/C9H9F2NO2/c10-6-2-1-5(7(11)4-6)3-8(12)9(13)14/h1-2,4,8H,3,12H2,(H,13,14)
InChIKey
UEFLPVKMPDEMFW-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(Cc1ccc(cc1F)F)N
Isomeric Smiles
Fc1c(ccc(c1)F)CC(C(=O)O)N
Calculated Properties
JChem
Acid pKa
1.4064428
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.89956814
LogD (pH = 7.4)
-0.90420014
Log P
-0.8995901
Molar Refractivity
45.5491
Polarizability
17.399643
Polar Surface Area
63.32
Rotatable Bonds
3
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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