Molecule

ID:98959

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀FNO₃
Molecular Mass
199.1790032
Exact Mass
199.06447141
Charge
0
InChI
InChI=1S/C9H10FNO3/c10-7-4-6(12)2-1-5(7)3-8(11)9(13)14/h1-2,4,8,12H,3,11H2,(H,13,14)
InChIKey
WEJIXBMNLWITCR-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(Cc1ccc(cc1F)O)N
Isomeric Smiles
Fc1c(ccc(c1)O)CC(C(=O)O)N
Calculated Properties
JChem
Acid pKa
1.5557903
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-1.3462126
LogD (pH = 7.4)
-1.3808225
Log P
-1.3459893
Molar Refractivity
47.3136
Polarizability
18.269508
Polar Surface Area
83.55
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
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References
Bioactivity
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