Molecule

ID:11937

General Information
Structure
MolImage
Molecular Formula
C₅H₉FO₄
Molecular Mass
152.1209632
Exact Mass
152.04848699
Charge
0
InChI
InChI=1S/C5H9FO4/c6-3-2(1-7)10-5(9)4(3)8/h2-5,7-9H,1H2/t2-,3+,4-,5?/m1/s1
InChIKey
NZBLAOXQXYQYNW-IOVATXLUSA-N
Canonic Smiles
OC[C@H]1OC([C@@H]([C@H]1F)O)O
Isomeric Smiles
OC1[C@H](O)[C@H]([C@H](O1)CO)F
Calculated Properties
JChem
Acid pKa
11.269418
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-1.4111133
LogD (pH = 7.4)
-1.4111711
Log P
-1.4111125
Molar Refractivity
28.2688
Polarizability
11.831362
Polar Surface Area
69.92
Rotatable Bonds
1
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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