Molecule

ID:35256

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄FNO₂
Molecular Mass
247.2648632
Exact Mass
247.10085691
Charge
0
InChI
InChI=1S/C14H14FNO2/c1-9-7-13(14(17)18)10(2)16(9)8-11-3-5-12(15)6-4-11/h3-7H,8H2,1-2H3,(H,17,18)
InChIKey
GSDMGAGFDOQHKA-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)Cn1c(C)cc(c1C)C(=O)O
Isomeric Smiles
c1(c(n(c(c1)C)Cc1ccc(F)cc1)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.390697
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1042194
LogD (pH = 7.4)
-0.2045617
Log P
3.2006867
Molar Refractivity
68.0981
Polarizability
24.931076
Polar Surface Area
42.23
Rotatable Bonds
3
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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