Molecule

ID:95084

General Information
Structure
MolImage
Molecular Formula
C₉H₉F₂NO₂
Molecular Mass
201.1700664
Exact Mass
201.06013497
Charge
0
InChI
InChI=1S/C9H9F2NO2/c10-6-1-5(2-7(11)4-6)3-8(12)9(13)14/h1-2,4,8H,3,12H2,(H,13,14)
InChIKey
QFGMPXZFCIHYIR-UHFFFAOYSA-N
Canonic Smiles
NC(C(=O)O)Cc1cc(F)cc(c1)F
Isomeric Smiles
NC(Cc1cc(cc(c1)F)F)C(=O)O
Calculated Properties
JChem
Acid pKa
1.4047422
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.89957035
LogD (pH = 7.4)
-0.90380394
Log P
-0.89959556
Molar Refractivity
45.5491
Polarizability
17.399715
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
No Data Available
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Molecule Details
References
Bioactivity
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