Molecule
ID:41321
General Information
Molecular Formula
C₁₃H₁₄FNO₄
Molecular Mass
267.2529632
Exact Mass
267.09068615
Charge
0
InChI
InChI=1S/C13H14FNO4/c1-19-13(18)11-6-10(16)7-15(11)12(17)8-2-4-9(14)5-3-8/h2-5,10-11,16H,6-7H2,1H3
InChIKey
QSNFIHUMOVLUQU-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1CC(CN1C(=O)c1ccc(cc1)F)O
Isomeric Smiles
N1(C(=O)c2ccc(cc2)F)C(C(=O)OC)CC(C1)O
Calculated Properties
JChem
Acid pKa
14.794079
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.50787354
LogD (pH = 7.4)
0.50787365
Log P
0.50787365
Molar Refractivity
64.6041
Polarizability
24.680044
Polar Surface Area
66.84
Rotatable Bonds
3
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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