Molecule

ID:120947

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀FNO₃
Molecular Mass
235.2111032
Exact Mass
235.06447141
Charge
0
InChI
InChI=1S/C12H10FNO3/c13-8-1-2-10-9(7-8)11(15)3-5-14(10)6-4-12(16)17/h1-3,5,7H,4,6H2,(H,16,17)
InChIKey
NEASRPXBNICJPZ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCn1ccc(=O)c2c1ccc(c2)F
Isomeric Smiles
c12c(n(ccc1=O)CCC(=O)O)ccc(c2)F
Calculated Properties
JChem
Acid pKa
3.8459454
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.030635497
LogD (pH = 7.4)
-1.6050956
Log P
1.6435603
Molar Refractivity
60.2539
Polarizability
21.8705
Polar Surface Area
57.61
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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